 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer12_STD_wB97XD_def2SVPD.in
 Output=26_junionone_conformer12_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-14455.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     14460.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=26_junionone_conformer12_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:11:40 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer12_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.485536000000     -1.394131000000      1.201364000000
  C                                                 1.966773000000     -0.392200000000      0.165915000000
  C                                                 0.868394000000      0.353659000000     -0.698378000000
  C                                                -0.497714000000      0.352190000000     -0.124912000000
  C                                                -1.585230000000     -0.118716000000     -0.740357000000
  C                                                -2.947927000000     -0.130962000000     -0.173989000000
  O                                                -3.869650000000     -0.592319000000     -0.821022000000
  C                                                 3.006329000000     -1.028151000000     -0.749724000000
  C                                                 2.432922000000      0.991915000000      0.695754000000
  C                                                 1.648186000000      1.678903000000     -0.442484000000
  C                                                -3.180010000000      0.431009000000      1.214107000000
  H                                                 3.509420000000      1.160900000000      0.735423000000
  H                                                 2.013908000000      1.213736000000      1.678261000000
  H                                                 0.832257000000      0.021669000000     -1.736686000000
  H                                                 1.043279000000      2.544670000000     -0.175495000000
  H                                                 2.275831000000      1.947927000000     -1.290478000000
  H                                                 2.329017000000     -1.760136000000      1.792254000000
  H                                                 1.010690000000     -2.255206000000      0.725171000000
  H                                                 0.763959000000     -0.954931000000      1.891159000000
  H                                                 2.586445000000     -1.890920000000     -1.272224000000
  H                                                 3.868238000000     -1.369574000000     -0.171198000000
  H                                                 3.366384000000     -0.323153000000     -1.501537000000
  H                                                -0.599262000000      0.771738000000      0.871956000000
  H                                                -1.515981000000     -0.539617000000     -1.738100000000
  H                                                -2.885796000000      1.481413000000      1.263267000000
  H                                                -2.589096000000     -0.110594000000      1.955779000000
  H                                                -4.235638000000      0.339532000000      1.456836000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 11:11:41 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519082   0.000000
     3  C    2.654177   1.584217   0.000000
     4  C    2.956675   2.590829   1.481593   0.000000
     5  C    3.850528   3.675983   2.499034   1.335371   0.000000
     6  C    4.810695   4.933362   3.882544   2.497877   1.475759
     7  O    5.780222   5.922662   4.833113   3.570241   2.334391
     8  C    2.500699   1.524305   2.546135   3.817597   4.680766
     9  C    2.616562   1.553640   2.190599   3.109882   4.409247
    10  C    3.488872   2.181998   1.558791   2.542815   3.711488
    11  C    5.009852   5.316555   4.478075   2.998983   2.581753
    12  H    3.292627   2.261906   3.111662   4.177477   5.456263
    13  H    2.703253   2.206455   2.774950   3.209663   4.536401
    14  H    3.326169   2.253509   1.090691   2.115628   2.618515
    15  H    4.195889   3.097516   2.259319   2.680333   3.784409
    16  H    4.243017   2.773588   2.207522   3.405506   4.413778
    17  H    1.092964   2.155794   3.578379   4.015950   4.942642
    18  H    1.092561   2.167407   2.975385   3.129926   3.667583
    19  H    1.090590   2.177130   2.903277   2.713840   3.625303
    20  H    2.752715   2.167579   2.884291   3.982450   4.563602
    21  H    2.749872   2.164365   3.499502   4.693416   5.623958
    22  H    3.462695   2.178090   2.709814   4.157215   5.013948
    23  H    3.024216   2.904786   2.189692   1.086314   2.089161
    24  H    4.287161   3.971974   2.750311   2.105840   1.085101
    25  H    5.232698   5.316205   4.383357   2.984145   2.875134
    26  H    4.338114   4.902944   4.383414   2.986189   2.876971
    27  H    5.983535   6.377445   5.540423   4.058838   3.473084
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216994   0.000000
     8  C    6.048932   6.890147   0.000000
     9  C    5.565145   6.673292   2.549288   0.000000
    10  C    4.946914   5.978984   3.044190   1.543810   0.000000
    11  C    1.515416   2.380032   6.652561   5.664655   5.254808
    12  H    6.647802   7.742543   2.692714   1.090402   2.262738
    13  H    5.464325   6.642628   3.450517   1.090916   2.201748
    14  H    4.093301   4.829426   2.608219   3.069246   2.255465
    15  H    4.805074   5.864663   4.116838   2.258590   1.089380
    16  H    5.732013   6.666346   3.111765   2.209922   1.088764
    17  H    5.862291   6.827626   2.730605   2.964269   4.157472
    18  H    4.581654   5.382715   2.768313   3.545053   4.152955
    19  H    4.326876   5.381240   3.465234   2.829247   3.628337
    20  H    5.910401   6.600842   1.092556   3.493887   3.783178
    21  H    6.927790   7.803929   1.092771   2.896268   3.780931
    22  H    6.455218   7.272946   1.091735   2.725590   2.842890
    23  H    2.724903   3.927119   4.343931   3.045269   2.757122
    24  H    2.159609   2.526572   4.654765   4.884984   4.075832
    25  H    2.160861   3.100418   6.713209   5.371261   4.848256
    26  H    2.159881   3.095562   6.282550   5.293756   5.187343
    27  H    2.130529   2.488158   7.693215   6.743481   6.326193
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.746136   0.000000
    13  H    5.273034   1.768698   0.000000
    14  H    4.997302   3.817902   3.805153   0.000000
    15  H    4.922878   2.970933   2.479903   2.974455   0.000000
    16  H    6.191945   2.499085   3.069373   2.448158   1.765920
    17  H    5.956908   3.323055   2.992692   4.227119   4.904744
    18  H    5.001677   4.232439   3.734754   3.358085   4.883756
    19  H    4.234870   3.653768   2.512133   3.757615   4.073854
    20  H    6.695162   3.767776   4.321117   2.636455   4.822721
    21  H    7.405334   2.711828   3.678659   3.688291   4.827185
    22  H    7.127325   2.688282   3.781843   2.568267   3.921685
    23  H    2.625533   4.129329   2.770225   3.068691   2.634081
    24  H    3.525143   5.853608   5.215926   2.414387   4.301671
    25  H    1.091937   6.424962   4.924527   4.995447   4.317196
    26  H    1.092058   6.348060   4.797761   5.035618   4.978645
    27  H    1.087031   7.821829   6.314276   5.998598   5.949294
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.822426   0.000000
    18  H    4.830088   1.766846   0.000000
    19  H    4.564554   1.762823   1.763837   0.000000
    20  H    3.851436   3.078051   2.570077   3.768889   0.000000
    21  H    3.846344   2.525249   3.123044   3.749906   1.768348
    22  H    2.528172   3.740335   3.773639   4.322285   1.766008
    23  H    3.784931   3.978964   3.431600   2.424568   4.672899
    24  H    4.556981   5.360697   3.923648   4.306058   4.344302
    25  H    5.777685   6.162933   5.425355   4.432915   6.909903
    26  H    6.200259   5.189948   4.367175   3.458332   6.354195
    27  H    7.248027   6.900421   5.898471   5.182687   7.678770
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765405   0.000000
    23  H    5.062800   4.749590   0.000000
    24  H    5.668670   4.892883   3.061441   0.000000
    25  H    7.470127   7.070386   2.425902   3.869000   0.000000
    26  H    6.914205   6.889554   2.431588   3.870449   1.761275
    27  H    8.440636   8.184245   3.708385   4.286847   1.778605
                   26         27
    26  H    0.000000
    27  H    1.778386   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.99D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1948938           0.5074064           0.4967916
 Leave Link  202 at Fri Aug 13 11:11:41 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       610.1943807680 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0194363974 Hartrees.
 Nuclear repulsion after empirical dispersion term =      610.1749443707 Hartrees.
 Leave Link  301 at Fri Aug 13 11:11:42 2021, MaxMem=  6442450944 cpu:               7.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.59D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Aug 13 11:11:43 2021, MaxMem=  6442450944 cpu:               5.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:11:44 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer12_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:11:45 2021, MaxMem=  6442450944 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442165951 LenY=  6442026381
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.430970013886    
 DIIS: error= 3.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.430970013886     IErMin= 1 ErrMin= 3.13D-03
 ErrMax= 3.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.343 Goal=   None    Shift=    0.000
 GapD=    0.343 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.50D-03 MaxDP=5.47D-01              OVMax= 1.67D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.12D-03    CP:  1.11D+00
 E= -465.440755872327     Delta-E=       -0.009785858440 Rises=F Damp=F
 DIIS: error= 5.65D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.440755872327     IErMin= 2 ErrMin= 5.65D-04
 ErrMax= 5.65D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.65D-03
 Coeff-Com: -0.293D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.291D-01 0.103D+01
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=1.00D-03 MaxDP=1.03D-01 DE=-9.79D-03 OVMax= 7.82D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.37D-04    CP:  1.13D+00  1.11D+00
 E= -465.441081259524     Delta-E=       -0.000325387198 Rises=F Damp=F
 DIIS: error= 7.32D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.441081259524     IErMin= 2 ErrMin= 5.65D-04
 ErrMax= 7.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-04 BMatP= 2.91D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.32D-03
 Coeff-Com: -0.449D-01 0.484D+00 0.561D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.446D-01 0.480D+00 0.564D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.10D-04 MaxDP=7.69D-03 DE=-3.25D-04 OVMax= 3.41D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.40D-05    CP:  1.13D+00  1.12D+00  1.04D+00
 E= -465.441238470543     Delta-E=       -0.000157211019 Rises=F Damp=F
 DIIS: error= 2.01D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.441238470543     IErMin= 4 ErrMin= 2.01D-04
 ErrMax= 2.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-05 BMatP= 2.21D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.01D-03
 Coeff-Com: -0.168D-01 0.108D+00 0.252D+00 0.657D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.168D-01 0.108D+00 0.251D+00 0.657D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=4.65D-05 MaxDP=1.81D-03 DE=-1.57D-04 OVMax= 1.25D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.11D-05    CP:  1.13D+00  1.12D+00  1.07D+00  1.05D+00
 E= -465.441254696156     Delta-E=       -0.000016225614 Rises=F Damp=F
 DIIS: error= 5.68D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.441254696156     IErMin= 5 ErrMin= 5.68D-05
 ErrMax= 5.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-06 BMatP= 2.03D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-02-0.469D-01-0.206D-01 0.248D+00 0.818D+00
 Coeff:      0.197D-02-0.469D-01-0.206D-01 0.248D+00 0.818D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=2.15D-05 MaxDP=1.27D-03 DE=-1.62D-05 OVMax= 6.14D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.46D-05    CP:  1.13D+00  1.12D+00  1.10D+00  1.10D+00  9.31D-01
 E= -465.441257217874     Delta-E=       -0.000002521717 Rises=F Damp=F
 DIIS: error= 5.64D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.441257217874     IErMin= 6 ErrMin= 5.64D-06
 ErrMax= 5.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.44D-08 BMatP= 2.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.920D-03-0.134D-01-0.106D-01 0.271D-01 0.166D+00 0.830D+00
 Coeff:      0.920D-03-0.134D-01-0.106D-01 0.271D-01 0.166D+00 0.830D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=5.23D-06 MaxDP=3.82D-04 DE=-2.52D-06 OVMax= 1.24D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.43D-06    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  9.55D-01
                    CP:  1.08D+00
 E= -465.441257287438     Delta-E=       -0.000000069564 Rises=F Damp=F
 DIIS: error= 2.86D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.441257287438     IErMin= 7 ErrMin= 2.86D-06
 ErrMax= 2.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.36D-09 BMatP= 4.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-03 0.264D-03-0.616D-03-0.172D-01-0.274D-01 0.281D+00
 Coeff-Com:  0.764D+00
 Coeff:      0.123D-03 0.264D-03-0.616D-03-0.172D-01-0.274D-01 0.281D+00
 Coeff:      0.764D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.47D-06 MaxDP=8.52D-05 DE=-6.96D-08 OVMax= 6.01D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  9.63D-01
                    CP:  1.14D+00  9.52D-01
 E= -465.441257302402     Delta-E=       -0.000000014965 Rises=F Damp=F
 DIIS: error= 8.13D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.441257302402     IErMin= 8 ErrMin= 8.13D-07
 ErrMax= 8.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.65D-10 BMatP= 9.36D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-03 0.195D-02 0.163D-02-0.850D-02-0.309D-01-0.599D-01
 Coeff-Com:  0.173D+00 0.923D+00
 Coeff:     -0.102D-03 0.195D-02 0.163D-02-0.850D-02-0.309D-01-0.599D-01
 Coeff:      0.173D+00 0.923D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=5.73D-07 MaxDP=1.59D-05 DE=-1.50D-08 OVMax= 2.96D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.13D-07    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  9.64D-01
                    CP:  1.16D+00  1.02D+00  1.13D+00
 E= -465.441257304367     Delta-E=       -0.000000001965 Rises=F Damp=F
 DIIS: error= 1.98D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.441257304367     IErMin= 9 ErrMin= 1.98D-07
 ErrMax= 1.98D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.20D-11 BMatP= 8.65D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.297D-04 0.408D-03 0.418D-03-0.976D-03-0.494D-02-0.287D-01
 Coeff-Com: -0.711D-02 0.206D+00 0.835D+00
 Coeff:     -0.297D-04 0.408D-03 0.418D-03-0.976D-03-0.494D-02-0.287D-01
 Coeff:     -0.711D-02 0.206D+00 0.835D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=1.43D-07 MaxDP=1.11D-05 DE=-1.96D-09 OVMax= 9.83D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.00D-07    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  9.64D-01
                    CP:  1.16D+00  1.02D+00  1.18D+00  1.07D+00
 E= -465.441257304496     Delta-E=       -0.000000000129 Rises=F Damp=F
 DIIS: error= 1.32D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.441257304496     IErMin=10 ErrMin= 1.32D-07
 ErrMax= 1.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-11 BMatP= 5.20D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.340D-05-0.140D-03-0.802D-04 0.916D-03 0.292D-02-0.210D-02
 Coeff-Com: -0.319D-01-0.686D-01 0.342D+00 0.757D+00
 Coeff:      0.340D-05-0.140D-03-0.802D-04 0.916D-03 0.292D-02-0.210D-02
 Coeff:     -0.319D-01-0.686D-01 0.342D+00 0.757D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=7.41D-08 MaxDP=4.41D-06 DE=-1.29D-10 OVMax= 2.49D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.01D-08    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  9.64D-01
                    CP:  1.16D+00  1.02D+00  1.20D+00  1.15D+00  1.11D+00
 E= -465.441257304495     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 3.69D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -465.441257304496     IErMin=11 ErrMin= 3.69D-08
 ErrMax= 3.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-12 BMatP= 1.76D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.532D-05-0.108D-03-0.830D-04 0.467D-03 0.177D-02 0.332D-02
 Coeff-Com: -0.100D-01-0.513D-01 0.310D-01 0.234D+00 0.791D+00
 Coeff:      0.532D-05-0.108D-03-0.830D-04 0.467D-03 0.177D-02 0.332D-02
 Coeff:     -0.100D-01-0.513D-01 0.310D-01 0.234D+00 0.791D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=2.42D-08 MaxDP=1.58D-06 DE= 6.82D-13 OVMax= 1.36D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.69D-08    CP:  1.13D+00  1.12D+00  1.10D+00  1.11D+00  9.65D-01
                    CP:  1.16D+00  1.02D+00  1.20D+00  1.18D+00  1.16D+00
                    CP:  1.07D+00
 E= -465.441257304523     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 1.51D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.441257304523     IErMin=12 ErrMin= 1.51D-08
 ErrMax= 1.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-13 BMatP= 1.20D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-05-0.154D-04-0.127D-04 0.296D-04 0.178D-03 0.102D-02
 Coeff-Com:  0.695D-03-0.652D-02-0.244D-01-0.484D-01 0.246D+00 0.831D+00
 Coeff:      0.113D-05-0.154D-04-0.127D-04 0.296D-04 0.178D-03 0.102D-02
 Coeff:      0.695D-03-0.652D-02-0.244D-01-0.484D-01 0.246D+00 0.831D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=8.64D-09 MaxDP=3.39D-07 DE=-2.77D-11 OVMax= 2.80D-07

 SCF Done:  E(RwB97XD) =  -465.441257305     A.U. after   12 cycles
            NFock= 12  Conv=0.86D-08     -V/T= 2.0119
 KE= 4.599834620127D+02 PE=-2.298057881757D+03 EE= 7.624582180687D+02
 Leave Link  502 at Fri Aug 13 11:15:45 2021, MaxMem=  6442450944 cpu:            1920.2 elap:             240.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.61031684D+02

 Leave Link  801 at Fri Aug 13 11:15:45 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8187 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 5.54D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.70D-01 6.82D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.92D-02 8.15D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 4.80D-03 2.28D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 3.81D-04 4.61D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.65D-05 7.76D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 7.67D-07 1.56D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.41D-08 2.66D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 6.46D-10 5.39D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.48D-11 7.82D-07.
     10 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 3.07D-13 1.02D-07.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 9.34D-15 1.07D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.168473D+03
      2  0.740741D+01  0.108348D+03
      3  0.567528D+01  0.414604D+01  0.110808D+03
 Isotropic polarizability for W=    0.085645      129.21 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.720381D+02 -0.448389D+02 -0.260988D+02
      2   0.606732D+02  0.390804D+02 -0.195893D+01
      3   0.113650D+02  0.575853D+01  0.280577D+02
      4  -0.442861D+02  0.948899D+02 -0.392981D+02
      5  -0.248217D+02 -0.445663D+02  0.231733D+02
      6  -0.237431D+02  0.131363D+02 -0.107044D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.907417D+01  0.854064D+01 -0.282814D+01
      2   0.123379D+02 -0.108732D+02  0.160917D+02
      3   0.301811D+02 -0.420585D+02  0.187894D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.526821D+01  0.150953D+02  0.164629D+02
      2  -0.127707D+01 -0.155550D+02  0.118084D+02
      3   0.552881D+00 -0.342168D+02  0.208232D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.264105D+01 -0.349235D+01 -0.471126D+01
      2  -0.349235D+01  0.968854D+00  0.369064D+01
      3  -0.471126D+01  0.369064D+01 -0.476787D+01
 OR G Eigenvalues:    -7.5373    -1.7860     8.1653  Iso=     0.3860
 Eigenvectors:
   (1)   0.331695  -0.257581   0.907541
   (2)   0.617674   0.786430  -0.002546
   (3)   0.713062  -0.561409  -0.419956
 w=    0.085645 a.u., Optical Rotation Beta=      0.3860 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      120.25 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 3.46D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.13D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 5.14D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 5.64D-02 6.17D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 2.56D-03 1.66D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 4.58D-05 1.05D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 9.09D-07 1.19D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.15D-08 1.17D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 1.13D-10 1.10D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 9.00D-13 8.81D-08.
     13 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 6.66D-15 7.90D-09.
      5 vectors produced by pass  9 Test12= 3.60D-14 2.78D-09 XBig12= 5.12D-15 5.02D-09.
      3 vectors produced by pass 10 Test12= 3.60D-14 2.78D-09 XBig12= 6.16D-15 9.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   261 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.99D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.99D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.03D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168473D+03  0.740741D+01  0.567528D+01
      2   0.740741D+01  0.108348D+03  0.414604D+01
      3   0.567528D+01  0.414604D+01  0.110808D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.907417D+01  0.854064D+01 -0.282814D+01
      2   0.123379D+02 -0.108732D+02  0.160917D+02
      3   0.301811D+02 -0.420585D+02  0.187894D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.720381D+02 -0.448389D+02 -0.260988D+02
      2   0.606732D+02  0.390804D+02 -0.195893D+01
      3   0.113650D+02  0.575853D+01  0.280577D+02
      4  -0.442861D+02  0.948899D+02 -0.392981D+02
      5  -0.248217D+02 -0.445663D+02  0.231733D+02
      6  -0.237431D+02  0.131363D+02 -0.107044D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.220362D+01  0.139185D+01 -0.411175D+01  0.704398D+00  0.967497D+00
      2   0.139185D+01  0.906458D+00  0.370025D+01  0.967497D+00  0.301031D+01
      3  -0.411175D+01  0.370025D+01 -0.535484D+00  0.365781D+01  0.138131D+01
                 6             7             8             9            10 
      1   0.365781D+01 -0.459299D+01  0.376749D+01 -0.345810D+00  0.189480D+02
      2   0.138131D+01  0.376749D+01  0.184736D+01 -0.387842D+00 -0.233780D+01
      3  -0.101423D+01 -0.345810D+00 -0.387842D+00 -0.167587D+01  0.510168D+01
                11            12            13            14            15 
      1  -0.233780D+01  0.510168D+01 -0.564225D+01  0.126049D+01 -0.414110D+01
      2  -0.864383D-01 -0.334979D+01  0.126049D+01 -0.444003D+01 -0.212588D+01
      3  -0.334979D+01  0.293408D+00 -0.414110D+01 -0.212588D+01  0.168366D+00
                16            17            18            19            20 
      1   0.162437D+02 -0.421998D+01  0.184811D+01 -0.398444D+02 -0.196582D+01
      2  -0.421998D+01 -0.223615D+01  0.172955D+00 -0.196582D+01 -0.377626D+01
      3   0.184811D+01  0.172955D+00  0.904243D+00 -0.450781D+01  0.105877D+01
                21            22            23            24            25 
      1  -0.450781D+01  0.360870D+01 -0.834309D+01  0.278865D+01 -0.749644D+01
      2   0.105877D+01 -0.834309D+01 -0.211095D+01 -0.741790D+00  0.228540D+01
      3  -0.611400D+00  0.278865D+01 -0.741790D+00  0.284152D+01 -0.971835D+00
                26            27            28            29            30 
      1   0.228540D+01 -0.971835D+00  0.598148D+02  0.617075D+01  0.541879D+01
      2  -0.617577D+00  0.270642D+01  0.617075D+01  0.320423D+01 -0.153843D-02
      3   0.270642D+01  0.357355D+01  0.541879D+01 -0.153843D-02  0.212482D+01
                31            32            33            34            35 
      1   0.123582D+02  0.771133D+01 -0.805457D+00  0.998784D+01 -0.828699D-01
      2   0.771133D+01  0.405417D+01  0.147728D+00 -0.828699D-01  0.418455D+00
      3  -0.805457D+00  0.147728D+00 -0.187706D+01  0.422377D+01 -0.173885D+01
                36            37            38            39            40 
      1   0.422377D+01 -0.587128D+02 -0.812130D+01 -0.646026D+01 -0.130139D+02
      2  -0.173885D+01 -0.812130D+01 -0.266087D+01 -0.130521D+00 -0.578567D+01
      3  -0.202788D+01 -0.646026D+01 -0.130521D+00 -0.977945D+00  0.147076D+00
                41            42            43            44            45 
      1  -0.578567D+01  0.147076D+00 -0.835141D+01  0.770092D-01 -0.331697D+01
      2  -0.305446D+01 -0.388496D+00  0.770092D-01 -0.503447D+00  0.238732D+01
      3  -0.388496D+00  0.292379D+01 -0.331697D+01  0.238732D+01  0.253449D+01
                46            47            48            49            50 
      1   0.425841D+02  0.796462D+01  0.617840D+01  0.101258D+02  0.218642D+01
      2   0.796462D+01  0.131572D+01  0.156394D+01  0.218642D+01  0.101920D+01
      3   0.617840D+01  0.156394D+01  0.123739D+01  0.220810D+01  0.320578D+00
                51            52            53            54            55 
      1   0.220810D+01  0.540446D+01  0.203053D+01  0.223871D+01 -0.355054D+02
      2   0.320578D+00  0.203053D+01  0.534192D+00 -0.801179D+00 -0.621539D+01
      3  -0.917399D+00  0.223871D+01 -0.801179D+00 -0.175407D+01 -0.582233D+01
                56            57            58            59            60 
      1  -0.621539D+01 -0.582233D+01 -0.136610D+02 -0.654695D+01 -0.158474D+01
      2  -0.255293D+01 -0.121570D+01 -0.654695D+01 -0.408074D+01 -0.217750D+01
      3  -0.121570D+01 -0.296833D+01 -0.158474D+01 -0.217750D+01 -0.903639D+00
                61            62            63            64            65 
      1  -0.196746D+02 -0.327042D+01 -0.607072D+01 -0.646733D+01  0.136572D+01
      2  -0.327042D+01 -0.162523D+01 -0.159945D+01  0.136572D+01  0.584636D+00
      3  -0.607072D+01 -0.159945D+01 -0.457209D+01 -0.312143D+01  0.386504D+01
                66            67            68            69            70 
      1  -0.312143D+01  0.140181D+01 -0.352641D+00  0.381895D+01 -0.700474D+01
      2   0.386504D+01 -0.352641D+00  0.249835D+01  0.315876D+01  0.391335D+01
      3  -0.808751D-01  0.381895D+01  0.315876D+01 -0.115152D+01 -0.122789D+01
                71            72            73            74            75 
      1   0.391335D+01 -0.122789D+01 -0.597441D+01 -0.177281D+01 -0.140333D+01
      2   0.300228D+01 -0.502968D+00 -0.177281D+01  0.151584D+01 -0.421341D+00
      3  -0.502968D+00  0.145862D+01 -0.140333D+01 -0.421341D+00  0.267657D+01
                76            77            78            79            80 
      1  -0.190240D+01  0.236971D+01 -0.739581D+00  0.164012D+00 -0.185148D+00
      2   0.236971D+01  0.559562D+01  0.242372D+01 -0.185148D+00  0.195020D+01
      3  -0.739581D+00  0.242372D+01 -0.177751D+01  0.253500D+01 -0.224446D+01
                81            82            83            84            85 
      1   0.253500D+01  0.611395D+01  0.242491D+01  0.987112D+00  0.548811D+01
      2  -0.224446D+01  0.242491D+01  0.451784D+01  0.257942D+01  0.632877D+01
      3  -0.252733D+01  0.987112D+00  0.257942D+01 -0.316045D+01  0.172907D+01
                86            87            88            89            90 
      1   0.632877D+01  0.172907D+01  0.725317D+01  0.475234D+01 -0.337542D+01
      2  -0.110381D+01  0.354809D+00  0.475234D+01  0.488252D+00 -0.430875D-01
      3   0.354809D+00  0.773913D-01 -0.337542D+01 -0.430875D-01  0.369436D+00
                91            92            93            94            95 
      1   0.872356D+01  0.985821D+00 -0.279090D+01  0.215427D+01 -0.138019D+01
      2   0.985821D+00 -0.216462D+01 -0.680297D-01 -0.138019D+01 -0.394973D+01
      3  -0.279090D+01 -0.680297D-01 -0.269213D+01 -0.463229D+00 -0.134233D+01
                96            97            98            99           100 
      1  -0.463229D+00 -0.653551D+00 -0.294039D+00 -0.297924D+01  0.108310D+02
      2  -0.134233D+01 -0.294039D+00 -0.676272D+00  0.193603D+01  0.252461D+01
      3   0.218775D+01 -0.297924D+01  0.193603D+01  0.569100D+00  0.228994D+01
               101           102           103           104           105 
      1   0.252461D+01  0.228994D+01  0.121889D+01  0.150454D+01  0.284746D+00
      2   0.201341D+01  0.620436D+00  0.150454D+01  0.640452D+00  0.195050D+00
      3   0.620436D+00  0.144932D+01  0.284746D+00  0.195050D+00  0.374190D+00
               106           107           108           109           110 
      1   0.624158D+00  0.210453D+00  0.108000D+01 -0.286140D+00  0.529774D+00
      2   0.210453D+00 -0.128302D+00  0.612693D+00  0.529774D+00 -0.964741D+00
      3   0.108000D+01  0.612693D+00  0.100958D+01  0.984953D+00 -0.397187D+00
               111           112           113           114           115 
      1   0.984953D+00  0.274280D+00 -0.193083D+00  0.608994D-01  0.110604D+01
      2  -0.397187D+00 -0.193083D+00  0.692910D+00  0.101612D+01  0.545617D-01
      3  -0.205714D+01  0.608994D-01  0.101612D+01  0.139730D+01 -0.200800D+00
               116           117           118           119           120 
      1   0.545617D-01 -0.200800D+00 -0.317455D+00 -0.450629D+00 -0.674376D+00
      2   0.194817D+01  0.206969D+01 -0.450629D+00  0.289255D+00 -0.148628D+00
      3   0.206969D+01  0.733654D+01 -0.674376D+00 -0.148628D+00 -0.118102D+00
               121           122           123           124           125 
      1  -0.198157D+01  0.419936D+00 -0.336134D-01 -0.121794D+01  0.638269D-01
      2   0.419936D+00 -0.759287D+00 -0.115572D+01  0.638269D-01 -0.127432D+01
      3  -0.336134D-01 -0.115572D+01 -0.165083D+01  0.435803D+00 -0.112288D+01
               126           127           128           129           130 
      1   0.435803D+00 -0.202377D+01  0.160759D+01 -0.779270D-01  0.364852D+00
      2  -0.112288D+01  0.160759D+01 -0.411567D+01 -0.257370D+00 -0.190465D+01
      3  -0.673201D+01 -0.779270D-01 -0.257370D+00 -0.290525D+00 -0.281285D+00
               131           132           133           134           135 
      1  -0.190465D+01 -0.281285D+00  0.177632D+00 -0.577395D+00  0.200559D+00
      2   0.795472D+01  0.637613D-01 -0.577395D+00  0.141777D+01  0.112824D+01
      3   0.637613D-01  0.932897D+00  0.200559D+00  0.112824D+01  0.289507D+00
               136           137           138           139           140 
      1   0.298883D+01  0.150646D+01 -0.194445D+01 -0.221154D+00  0.795417D+00
      2   0.150646D+01  0.150750D+01 -0.141917D+01  0.795417D+00  0.210442D+01
      3  -0.194445D+01 -0.141917D+01  0.246091D+01 -0.101647D+01 -0.147500D+01
               141           142           143           144           145 
      1  -0.101647D+01 -0.435595D+01 -0.238610D+01  0.279883D+01  0.524540D+01
      2  -0.147500D+01 -0.238610D+01 -0.280756D+01  0.234580D+01 -0.231582D+01
      3   0.125015D+01  0.279883D+01  0.234580D+01 -0.452052D+01  0.314459D+01
               146           147           148           149           150 
      1  -0.231582D+01  0.314459D+01 -0.132988D+01  0.150557D+01 -0.131262D+01
      2   0.243894D+01 -0.211732D+01  0.150557D+01 -0.231489D+01  0.138023D+01
      3  -0.211732D+01  0.325548D+01 -0.131262D+01  0.138023D+01 -0.123045D+01
               151           152           153           154           155 
      1   0.226464D+01 -0.162755D+01  0.233439D+01 -0.131419D+01 -0.141755D+01
      2  -0.162755D+01  0.138590D+01 -0.180132D+01 -0.141755D+01 -0.244145D+01
      3   0.233439D+01 -0.180132D+01  0.367817D+01  0.105531D+00 -0.405355D+00
               156           157           158           159           160 
      1   0.105531D+00 -0.124088D+01 -0.139451D+01 -0.415194D+00 -0.475378D+00
      2  -0.405355D+00 -0.139451D+01 -0.652183D+01 -0.439022D+00 -0.704381D+00
      3  -0.552784D+00 -0.415194D+00 -0.439022D+00 -0.114749D+01 -0.292294D+00
               161           162           163           164           165 
      1  -0.704381D+00 -0.292294D+00 -0.376371D+01  0.781412D+00  0.183241D+01
      2  -0.250857D+01 -0.779096D+00  0.781412D+00 -0.112244D+01 -0.269395D+00
      3  -0.779096D+00 -0.858038D+00  0.183241D+01 -0.269395D+00 -0.245502D+01
               166           167           168           169           170 
      1   0.195230D+01 -0.106331D+01 -0.622998D+00  0.161351D+01 -0.552977D+00
      2  -0.106331D+01  0.802033D+00  0.270949D+00 -0.552977D+00  0.646677D+00
      3  -0.622998D+00  0.270949D+00  0.163102D+01 -0.203448D+01  0.348741D+00
               171           172           173           174           175 
      1  -0.203448D+01 -0.394908D+00 -0.651753D+00 -0.497667D-01 -0.140485D+01
      2   0.348741D+00 -0.651753D+00 -0.191635D+01 -0.117771D+01  0.378846D+00
      3   0.387094D+01 -0.497667D-01 -0.117771D+01 -0.110994D+01 -0.556809D-01
               176           177           178           179           180 
      1   0.378846D+00 -0.556809D-01 -0.206442D+00 -0.212005D+00  0.261274D+00
      2  -0.584400D+01 -0.276352D+01 -0.212005D+00 -0.271172D+01 -0.202581D+01
      3  -0.276352D+01 -0.212676D+01  0.261274D+00 -0.202581D+01 -0.253444D+01
               181           182           183           184           185 
      1   0.837618D+01 -0.284397D+01  0.162724D+01 -0.222550D+01  0.204867D+01
      2  -0.284397D+01  0.178275D+01 -0.801702D+00  0.204867D+01 -0.185357D+01
      3   0.162724D+01 -0.801702D+00  0.143433D+01 -0.749301D+00  0.202895D+00
               186           187           188           189           190 
      1  -0.749301D+00  0.532129D+01 -0.186101D+01  0.170432D+01  0.274451D+01
      2   0.202895D+00 -0.186101D+01  0.115384D+01 -0.632297D+00  0.733364D+00
      3  -0.449810D+00  0.170432D+01 -0.632297D+00  0.152715D+01 -0.131858D+01
               191           192           193           194           195 
      1   0.733364D+00 -0.131858D+01  0.208810D+01  0.743047D+00 -0.174942D+01
      2   0.596947D+00 -0.928538D+00  0.743047D+00  0.205411D+01 -0.163369D+01
      3  -0.928538D+00  0.150658D+01 -0.174942D+01 -0.163369D+01  0.244664D+01
               196           197           198           199           200 
      1  -0.178426D+01 -0.977277D+00  0.236110D+01  0.113532D+01  0.769753D+00
      2  -0.977277D+00 -0.176475D+01  0.137952D+01  0.769753D+00  0.909977D-01
      3   0.236110D+01  0.137952D+01 -0.427649D+01  0.123386D+01 -0.109596D+00
               201           202           203           204           205 
      1   0.123386D+01  0.158760D+01 -0.961474D+00  0.294237D+00  0.178323D+01
      2  -0.109596D+00 -0.961474D+00  0.608915D+00  0.103687D+01  0.419691D+00
      3  -0.481279D+00  0.294237D+00  0.103687D+01  0.159298D+01 -0.324168D+00
               206           207           208           209           210 
      1   0.419691D+00 -0.324168D+00 -0.783538D+00 -0.528803D+00 -0.918370D+00
      2   0.146045D+01  0.153035D+01 -0.528803D+00 -0.596403D-01 -0.878078D-02
      3   0.153035D+01  0.437064D+01 -0.918370D+00 -0.878078D-02  0.143852D+00
               211           212           213           214           215 
      1  -0.929353D+00  0.166892D+00 -0.459426D+00 -0.164592D+01 -0.323197D+00
      2   0.166892D+00 -0.114079D+01 -0.139966D+01 -0.323197D+00 -0.167045D+01
      3  -0.459426D+00 -0.139966D+01 -0.244632D+01 -0.255998D+00 -0.208824D+01
               216           217           218           219           220 
      1  -0.255998D+00 -0.830285D+00  0.610230D+00  0.198981D+00  0.207749D+01
      2  -0.208824D+01  0.610230D+00  0.111423D+01  0.313492D+00 -0.162227D+00
      3  -0.675418D+01  0.198981D+00  0.313492D+00  0.100256D+01 -0.686470D+00
               221           222           223           224           225 
      1  -0.162227D+00 -0.686470D+00  0.949541D+00  0.115216D+00  0.122266D+00
      2   0.699197D+01  0.165914D+01  0.115216D+00  0.541182D+00  0.727500D+00
      3   0.165914D+01  0.182040D+01  0.122266D+00  0.727500D+00  0.734583D+00
               226           227           228           229           230 
      1   0.601910D+00 -0.930496D+00  0.931118D+00 -0.121595D+01  0.610831D+00
      2  -0.930496D+00  0.112333D+01 -0.405963D+00  0.610831D+00 -0.105372D+01
      3   0.931118D+00 -0.405963D+00  0.264514D+01 -0.138104D+00  0.153281D+01
               231           232           233           234           235 
      1  -0.138104D+00  0.259604D+01 -0.433943D+00  0.629767D+00 -0.968560D+01
      2   0.153281D+01 -0.433943D+00  0.143253D+01 -0.136112D+01  0.185267D+00
      3  -0.246051D+01  0.629767D+00 -0.136112D+01  0.487613D+01  0.316667D+01
               236           237           238           239           240 
      1   0.185267D+00  0.316667D+01 -0.636149D+00 -0.910178D+00  0.265168D+00
      2  -0.114070D+01 -0.677220D-01 -0.910178D+00  0.200615D+00  0.497881D+00
      3  -0.677220D-01 -0.213895D+01  0.265168D+00  0.497881D+00 -0.490867D+00
               241           242           243 
      1   0.197033D+01  0.184219D-01 -0.137829D+01
      2   0.184219D-01  0.297102D+00 -0.216650D+00
      3  -0.137829D+01 -0.216650D+00  0.113022D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.594274D+01  0.915853D+01  0.531561D+01  0.857376D+01  0.886746D+01
      2  -0.812188D+01  0.239235D+01  0.736847D+01  0.665063D+01  0.272941D+00
      3  -0.277644D+01 -0.760438D+01  0.180991D+01 -0.377576D+00 -0.664180D+01
                 6             7             8             9            10 
      1  -0.209745D+01  0.562147D+01  0.458484D+01 -0.482038D+01  0.414484D+01
      2  -0.691640D+01  0.340899D+01 -0.718990D+01 -0.234406D+01  0.179615D+02
      3  -0.893293D+01  0.798243D+00 -0.105225D+02  0.911224D+00  0.964669D+01
                11            12            13            14            15 
      1  -0.486458D+01 -0.344649D-01 -0.612817D+01 -0.577512D+01 -0.514250D+01
      2  -0.785070D+01  0.486673D+01 -0.106358D+02 -0.318763D+01  0.621167D+00
      3  -0.233361D+01  0.734134D+01  0.688968D+01  0.119486D+02  0.883738D+01
                16            17            18            19            20 
      1   0.169413D+01  0.412952D+01 -0.391304D+00  0.201211D+01  0.264618D+01
      2   0.415450D+01  0.147152D+01  0.283029D+01 -0.271700D+02 -0.157151D+01
      3   0.964113D+01  0.959758D+01 -0.771704D+00 -0.158287D+02 -0.390393D+01
                21            22            23            24            25 
      1  -0.130190D+01  0.668322D+01  0.377364D+01 -0.247766D+01 -0.352919D+01
      2  -0.297374D+00  0.399910D+00 -0.671185D+01  0.406464D+01 -0.158198D+02
      3  -0.327225D+01  0.713943D+01 -0.539769D+01  0.264764D+01 -0.342369D+01
                26            27            28            29            30 
      1   0.392672D+01 -0.381717D+01 -0.818768D+01  0.665487D+00 -0.600416D+00
      2   0.232888D+01 -0.225805D-01  0.307717D+02  0.528148D+01 -0.104728D+01
      3   0.262104D+00 -0.175809D+01  0.168292D+02  0.738944D+01  0.148768D+00
                31            32            33            34            35 
      1   0.474749D+01 -0.153542D+01 -0.291203D+01 -0.226438D+01  0.177338D+01
      2   0.127295D+02  0.343833D+01  0.791692D-01 -0.200847D+02 -0.209190D+01
      3   0.357461D+02  0.938927D+01  0.292767D+01 -0.647994D+00 -0.595558D+00
                36            37            38            39            40 
      1   0.316776D+01  0.806948D+01 -0.136815D+01  0.961637D+00 -0.578882D+01
      2  -0.306644D+00 -0.226428D+02 -0.500959D+01  0.356804D+01 -0.121220D+02
      3   0.491245D+00 -0.228737D+02 -0.110003D+02 -0.991653D+00 -0.360413D+01
                41            42            43            44            45 
      1   0.366340D+00 -0.930855D+00  0.730097D+01  0.175165D+01 -0.302101D+00
      2  -0.386939D+01 -0.497016D+01 -0.134513D+02 -0.608210D+01 -0.114139D+02
      3  -0.380156D+01  0.143938D+01  0.122845D+01  0.306544D+01  0.351000D+01
                46            47            48            49            50 
      1  -0.601420D+01  0.743464D+01 -0.115026D-02  0.359960D+01 -0.657081D+01
      2   0.684909D+01  0.509265D+01 -0.749679D+01  0.422845D+01 -0.441436D+00
      3   0.146401D+02  0.159995D+02  0.778072D+00  0.239949D+02  0.641922D+01
                51            52            53            54            55 
      1  -0.127752D+02  0.451389D+00 -0.293108D+01  0.915731D+01  0.366001D+01
      2  -0.252833D+01 -0.165186D+02 -0.499771D+00  0.471958D+01 -0.641066D+01
      3  -0.152865D+01 -0.209675D+00  0.145292D+01 -0.251573D+00 -0.116128D+02
                56            57            58            59            60 
      1  -0.117266D+01 -0.129109D+01  0.263703D+01  0.301852D+01  0.593330D-01
      2  -0.969721D+00  0.172864D+02 -0.489313D+01  0.270496D+01  0.689539D+01
      3  -0.187091D+02 -0.258500D+01 -0.139893D+02 -0.140958D+02 -0.467581D+01
                61            62            63            64            65 
      1   0.951130D+00  0.413936D+01 -0.311248D+01 -0.401455D+01  0.475913D+01
      2   0.221122D+01  0.277139D+01  0.142630D+02 -0.143491D+02  0.142114D+02
      3  -0.563205D+01 -0.949107D+01 -0.441528D+01  0.637368D+00 -0.557599D+01
                66            67            68            69            70 
      1  -0.488723D+01  0.664950D+01  0.204190D+01 -0.685908D+01 -0.710673D+01
      2  -0.126774D+01  0.133087D+02  0.112201D+02  0.985984D-01 -0.124427D+02
      3  -0.101001D+02  0.413337D+01 -0.943497D+01 -0.165198D+02 -0.109462D+02
                71            72            73            74            75 
      1  -0.116945D+01  0.359202D+01 -0.143950D+01  0.468823D+01 -0.544925D+01
      2   0.284758D+01  0.559813D+01  0.647138D+01  0.204042D+01  0.126234D+02
      3  -0.155861D+02  0.312422D+01 -0.223002D+01 -0.116036D+02  0.466900D+00
                76            77            78            79            80 
      1   0.179821D+01  0.249430D+01  0.426533D+01 -0.425274D+01  0.894955D+01
      2   0.415585D+00  0.397387D+01 -0.536289D+01  0.526847D+01 -0.710605D+01
      3  -0.555458D+01 -0.131069D+02 -0.905559D+01  0.159221D+01 -0.780374D+01
                81            82            83            84            85 
      1   0.299242D+00 -0.301659D+01 -0.113799D+02  0.790260D+01 -0.126188D+02
      2  -0.107471D+02  0.621548D+01  0.514406D+01 -0.290838D+01  0.743287D+01
      3   0.114095D+02  0.295481D+00 -0.875583D+01 -0.391390D+01  0.332945D+01
                86            87            88            89            90 
      1   0.687319D+00 -0.406782D+01  0.747640D+01  0.230102D+01  0.173079D+00
      2   0.593180D+01  0.183689D+01 -0.372390D+01  0.324845D+01 -0.244335D+01
      3   0.142968D+02  0.498174D+01 -0.739539D+00  0.961959D+01 -0.941665D+01
                91            92            93            94            95 
      1   0.191739D+01 -0.574322D+01  0.296828D+01  0.214898D+01 -0.640650D+01
      2   0.242861D+01 -0.114035D+01  0.174658D+02 -0.185259D+00  0.900461D+01
      3   0.623881D+01 -0.981729D+01 -0.167244D+01 -0.860193D+00 -0.147993D+02
                96            97            98            99           100 
      1  -0.877856D+01 -0.618992D+00  0.256239D+01  0.344435D+01 -0.858398D+00
      2  -0.928086D+01  0.857084D+01 -0.699193D+01  0.196510D+01 -0.407050D+01
      3  -0.524636D+01 -0.100903D+01 -0.647857D+00  0.507891D+01  0.689778D+01
               101           102           103           104           105 
      1   0.181960D+01 -0.197645D+01  0.450268D+00  0.795191D-01 -0.142932D+01
      2  -0.286999D+00  0.510117D+01 -0.611475D+00 -0.722210D+00  0.110119D+01
      3  -0.619245D+01  0.982986D+00 -0.608501D+00 -0.290676D-01  0.471442D+00
               106           107           108           109           110 
      1  -0.957280D+00 -0.300034D-01 -0.688903D+00 -0.762629D+00 -0.165114D+01
      2   0.101982D+01  0.128334D+01  0.221131D+01  0.420442D+01 -0.156342D+01
      3   0.393623D+00  0.485855D+00 -0.383794D+00 -0.228649D+01  0.243308D+01
               111           112           113           114           115 
      1   0.259559D+01 -0.706964D+00 -0.764660D+00 -0.182655D+01  0.662072D+00
      2  -0.627062D+01 -0.777165D+00  0.331187D+01  0.361795D+01 -0.561984D+01
      3   0.227849D+01  0.252710D+01 -0.154168D+01 -0.239741D+01  0.219623D+01
               116           117           118           119           120 
      1   0.196943D+01 -0.748285D+01  0.655389D+00  0.363431D+00  0.115579D+00
      2   0.524442D+01  0.203219D+02 -0.191205D+01 -0.573982D+00  0.370098D+00
      3  -0.431029D+01 -0.591100D+01  0.518613D+00 -0.107696D+01 -0.254763D+00
               121           122           123           124           125 
      1   0.976502D+00  0.197300D+01  0.726328D+00 -0.288171D+00  0.467159D+01
      2  -0.184140D+01 -0.576069D+00 -0.173094D+01 -0.417328D+01 -0.900330D+00
      3   0.157423D+01  0.492446D+00  0.848450D+00 -0.127676D+00  0.556573D+00
               126           127           128           129           130 
      1   0.297789D+01 -0.668757D+00  0.320233D+01  0.204589D+01  0.171219D+01
      2  -0.593842D+01 -0.130462D+01  0.361322D+00  0.401786D+00 -0.468719D+00
      3   0.136988D+01 -0.897072D+01  0.921808D+01  0.420051D+00  0.917021D+01
               131           132           133           134           135 
      1  -0.489759D+01 -0.476820D+01 -0.322310D-01 -0.221567D+01 -0.174443D+01
      2  -0.126363D+01  0.382634D+00 -0.676883D+00  0.134678D+01  0.569504D+00
      3  -0.173645D+02 -0.500931D+00  0.209137D+01 -0.385036D+01 -0.157209D+01
               136           137           138           139           140 
      1   0.322098D+01  0.140954D+01 -0.544345D+01  0.163814D+01  0.175443D+01
      2  -0.382316D+00 -0.148709D+01  0.443811D+01 -0.171074D+01 -0.201211D+01
      3   0.392296D+01 -0.190233D+01 -0.129166D+01  0.333397D+00 -0.279534D+01
               141           142           143           144           145 
      1  -0.252764D+01 -0.507810D+01 -0.679186D+00  0.918673D+01  0.171676D+01
      2   0.205904D+01 -0.833848D-01  0.256783D+01 -0.621423D+01 -0.297486D+01
      3   0.460015D+00 -0.395547D+01  0.152682D+01  0.127410D+01 -0.423861D+01
               146           147           148           149           150 
      1   0.827280D+00  0.313703D+01 -0.110331D+00 -0.127128D+01 -0.156325D+01
      2  -0.934258D+00  0.344816D+01  0.154606D+01  0.470868D+00 -0.247065D+00
      3  -0.274888D+01 -0.552825D+00  0.167884D+01  0.239351D+01  0.858260D-01
               151           152           153           154           155 
      1   0.132896D+01  0.703273D+00  0.405937D+01 -0.214853D+01 -0.458108D+01
      2  -0.236747D+01 -0.404595D+00  0.360647D+01  0.239459D+01  0.166880D+01
      3  -0.274426D+01 -0.270270D+00 -0.658256D+00  0.702275D+01  0.553910D+01
               156           157           158           159           160 
      1  -0.288409D+01 -0.315673D+01 -0.100685D+02 -0.520418D+01 -0.190638D+01
      2   0.148935D+00  0.139564D+01  0.266738D+01 -0.697609D-01 -0.929805D+00
      3   0.865177D+00  0.721906D+01  0.131660D+02  0.136729D+01  0.330470D+01
               161           162           163           164           165 
      1  -0.340182D+01 -0.384859D+01  0.634421D+01 -0.446724D+01 -0.429262D+01
      2   0.379802D+00 -0.288273D+00  0.123027D+02 -0.241627D+01 -0.533123D+01
      3   0.553163D+01  0.197763D+01  0.580519D+01 -0.957991D+00 -0.318225D+01
               166           167           168           169           170 
      1  -0.441368D+01  0.331314D+01  0.160510D+01 -0.464263D+01  0.369269D+01
      2  -0.576744D+01  0.232066D+01  0.320405D+01 -0.856864D+01  0.181260D+01
      3   0.139215D+00  0.648253D+00  0.113478D+01 -0.322812D+01  0.148985D+01
               171           172           173           174           175 
      1   0.662990D+01  0.510958D+00  0.488033D+00 -0.107726D+01  0.757465D-01
      2   0.833122D+01 -0.183324D+01 -0.447679D+01 -0.272999D+01 -0.259059D+01
      3   0.325781D+01  0.432196D+01  0.612448D+01  0.392349D+01  0.313120D+01
               176           177           178           179           180 
      1   0.220707D+01 -0.275259D+01  0.573577D+00  0.137709D+01 -0.250146D+01
      2  -0.957557D+01 -0.724094D+01 -0.115784D+01 -0.708266D+01 -0.793624D+01
      3   0.189214D+02  0.945976D+01  0.221665D+01  0.983271D+01  0.679258D+01
               181           182           183           184           185 
      1   0.441232D+01 -0.203685D+01  0.340375D+01 -0.240322D+01  0.126718D+01
      2   0.110489D+02 -0.490011D+01  0.900072D+01 -0.425604D+01  0.194044D+01
      3  -0.755913D+00 -0.544160D+01  0.815715D+00 -0.236202D+01  0.465327D+01
               186           187           188           189           190 
      1  -0.181272D+01  0.280099D+01 -0.250097D+00  0.276360D+01 -0.238953D+01
      2  -0.308575D+01  0.713728D+01 -0.300924D+01  0.749423D+01 -0.189093D+01
      3   0.308597D+00  0.151708D+01 -0.294132D+01  0.291542D+00 -0.408013D+01
               191           192           193           194           195 
      1  -0.224983D+01  0.253251D+01 -0.224017D+01 -0.597458D+01  0.354423D+01
      2  -0.230810D+01  0.488426D+01 -0.273913D+01 -0.513715D+01  0.732821D+01
      3  -0.379633D+01  0.445189D+01 -0.276784D+01 -0.904669D+01  0.696665D+01
               196           197           198           199           200 
      1   0.341444D+01  0.597661D+01 -0.579171D+01 -0.431302D-01 -0.340549D+00
      2   0.386484D+01  0.402006D+01 -0.124719D+02  0.395579D+00  0.270235D+00
      3   0.452170D+01  0.795047D+01 -0.671871D+01  0.583664D+00  0.582711D+00
               201           202           203           204           205 
      1   0.447696D+00 -0.408594D+01 -0.468396D+00 -0.217767D+01  0.141989D+01
      2  -0.184907D+00 -0.142610D+01 -0.138264D+01 -0.687763D+00 -0.292330D+01
      3   0.773857D+00  0.239196D+01 -0.115213D+00  0.761131D-01  0.190818D+01
               206           207           208           209           210 
      1   0.197006D+01 -0.336758D+01  0.888515D+00 -0.407972D+00  0.495254D-01
      2   0.178203D+00 -0.235375D+01  0.117185D+01 -0.169224D+00  0.242668D+00
      3   0.855324D+00 -0.392515D-01 -0.155756D+01 -0.551117D+00 -0.326442D+00
               211           212           213           214           215 
      1  -0.197280D+01  0.130727D+01 -0.181148D+00  0.741324D+00  0.407135D+01
      2  -0.169490D+00  0.288821D+01  0.437454D+01 -0.360402D+01  0.372824D+01
      3   0.321576D+01 -0.186863D+01 -0.266464D+01 -0.473143D+00 -0.332309D+01
               216           217           218           219           220 
      1  -0.122477D+00  0.816619D-01  0.228974D+01  0.316161D+00 -0.385373D+00
      2   0.119839D+02 -0.136804D+01 -0.244032D+01 -0.299601D+01 -0.582734D+00
      3  -0.441133D+01  0.239948D+01  0.404238D+01  0.127531D+01  0.202156D+01
               221           222           223           224           225 
      1   0.115056D+02  0.103531D+01  0.146180D+01  0.958352D+00  0.572102D+00
      2  -0.699262D+01 -0.501519D+01 -0.828954D+00 -0.241359D+01 -0.325413D+01
      3   0.242699D+02  0.555679D+01  0.149667D+01  0.160474D+01  0.249560D+01
               226           227           228           229           230 
      1  -0.899968D+00  0.253182D+01 -0.332434D+01  0.149825D+00 -0.306267D+01
      2  -0.677194D+01  0.342488D+01 -0.112546D+02  0.285080D+01 -0.731094D+01
      3  -0.247275D+01  0.256379D+01 -0.136482D+01  0.182252D+01 -0.311601D+01
               231           232           233           234           235 
      1   0.377564D+01 -0.210468D+01  0.403250D+01 -0.523205D+01 -0.124844D+01
      2   0.972292D+01 -0.696058D+01  0.588287D+01 -0.189272D+02  0.182218D+01
      3   0.542502D+01 -0.107954D+01  0.409088D+01 -0.427282D+01 -0.377814D+01
               236           237           238           239           240 
      1  -0.202075D+01  0.771853D+00 -0.664529D+00  0.647120D-01 -0.135661D+00
      2   0.285002D+00  0.597906D+01 -0.180873D+00 -0.962750D+00  0.174964D+01
      3  -0.609971D+01  0.110310D+01 -0.209599D+01  0.259319D+00  0.136366D+01
               241           242           243 
      1   0.584941D+00  0.131475D+01 -0.726860D+00
      2   0.611392D-01  0.957317D+00 -0.206884D+01
      3   0.131017D+01  0.141962D+01 -0.140371D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.799897D+01  0.436492D+01 -0.607341D+01  0.126252D+01  0.609248D+01
      2   0.258759D+01 -0.177712D+02 -0.563728D+01 -0.133119D+02 -0.161370D+02
      3  -0.105866D+02  0.134062D+02  0.117107D+02  0.120493D+02  0.100445D+02
      4   0.107459D+02 -0.430370D+01  0.214813D+02 -0.177222D+01  0.537669D+01
      5  -0.168756D+02  0.174210D+02 -0.133711D+02  0.163366D+02  0.424861D+01
      6   0.126009D+02 -0.119188D+02  0.116687D+02 -0.788877D+01 -0.392851D+01
                 6             7             8             9            10 
      1   0.194206D+02 -0.638433D+01  0.200338D+02 -0.219915D+01 -0.348333D+01
      2  -0.126067D+02 -0.697307D+01 -0.159607D+02  0.702900D+01  0.746011D+01
      3  -0.681390D+01  0.133574D+02 -0.407308D+01 -0.482985D+01 -0.397679D+01
      4  -0.565343D+01  0.222642D+02 -0.801946D+01  0.375498D+01 -0.143014D+02
      5   0.653819D+01 -0.127568D+02  0.869525D+01 -0.704949D+01  0.963727D+01
      6   0.452256D+01  0.100159D+02  0.365752D+01  0.604067D+00 -0.113689D+02
                11            12            13            14            15 
      1  -0.164519D+01  0.710183D+01 -0.441843D+01 -0.952640D+01 -0.186393D+02
      2   0.351945D+01  0.482548D+00  0.288730D+01  0.116935D+02  0.637810D+01
      3  -0.187426D+01 -0.758438D+01  0.153113D+01 -0.216709D+01  0.122612D+02
      4  -0.231597D+00 -0.191292D+02  0.299233D+01 -0.249247D+02 -0.517885D+01
      5  -0.155123D+02 -0.315161D+01 -0.167038D+02 -0.147938D+02  0.179545D+01
      6   0.751425D+01 -0.372733D+01 -0.187872D+01 -0.223878D+01 -0.652175D+01
                16            17            18            19            20 
      1   0.561927D+01 -0.181752D+02 -0.318584D+01  0.416601D+02  0.970307D+01
      2   0.649389D+01  0.910821D+01 -0.277807D+01 -0.397201D+02 -0.132822D+02
      3  -0.121132D+02  0.906697D+01  0.596391D+01 -0.193996D+01  0.357914D+01
      4  -0.285914D+02 -0.164342D+01 -0.382584D+00  0.857620D+01 -0.946465D+01
      5  -0.571815D+01  0.987451D+00  0.168854D+01  0.168166D+02  0.496606D+01
      6  -0.434878D+01 -0.392372D+01  0.130846D+01  0.105347D+02 -0.181397D+00
                21            22            23            24            25 
      1   0.359194D+01  0.179825D+02  0.677477D+01  0.694278D+01  0.575001D+00
      2  -0.348793D+01 -0.176796D+02 -0.121422D+02  0.246770D+01 -0.515699D+01
      3  -0.104017D+00 -0.302877D+00  0.536739D+01 -0.941048D+01  0.458199D+01
      4   0.565532D+01 -0.303538D+02 -0.574278D+01 -0.356967D+01  0.136264D+02
      5   0.476466D+01  0.497456D+01  0.517858D+01  0.332380D+01  0.346391D+01
      6   0.293156D+01  0.768852D+01  0.641138D+01  0.104605D+01  0.304135D+01
                26            27            28            29            30 
      1   0.837154D+01  0.138789D+02 -0.125509D+03 -0.124645D+02 -0.620890D+01
      2  -0.115164D+01  0.585113D+01  0.851883D+02  0.799289D+01  0.624392D+01
      3  -0.721990D+01 -0.197301D+02  0.403208D+02  0.447164D+01 -0.350206D-01
      4  -0.445510D+01  0.832456D+01 -0.149827D+02 -0.896625D+01 -0.588911D+00
      5   0.479975D+01  0.526460D+01 -0.374896D+02 -0.280317D+01 -0.123970D+02
      6  -0.518774D+00 -0.216204D+01 -0.179472D+02 -0.490524D+01 -0.595026D+00
                31            32            33            34            35 
      1  -0.361407D+02 -0.265913D+02  0.330868D+01 -0.320922D+02  0.248348D+00
      2   0.263551D+02  0.233793D+02 -0.245711D+01  0.189933D+02 -0.234973D+01
      3   0.978560D+01  0.321197D+01 -0.851570D+00  0.130989D+02  0.210139D+01
      4  -0.104030D+02 -0.106809D+02  0.150714D+01 -0.716552D+01  0.201360D+01
      5  -0.957548D+01 -0.519629D+01  0.126730D+00 -0.121353D+02  0.162168D+01
      6  -0.571748D+01 -0.874299D+01  0.391241D+01 -0.213807D+01  0.139186D+01
                36            37            38            39            40 
      1  -0.116876D+02  0.180213D+03  0.290720D+02  0.191858D+02  0.322369D+02
      2   0.251129D+01 -0.110495D+03 -0.178528D+02 -0.130354D+02 -0.162315D+02
      3   0.917630D+01 -0.697177D+02 -0.112193D+02 -0.615047D+01 -0.160054D+02
      4   0.527311D+00  0.333534D+02  0.167277D+02  0.800522D+00  0.326287D+02
      5   0.149729D+01  0.572040D+02  0.515949D+01  0.134264D+02  0.378216D+01
      6  -0.518404D+01  0.198136D+02  0.513241D+01  0.644169D+00  0.105029D+02
                41            42            43            44            45 
      1   0.668510D+01  0.850658D+01  0.991223D+01  0.790379D+01  0.129258D+02
      2   0.998822D+00  0.247696D+01 -0.123008D+02 -0.260518D+01 -0.243205D+01
      3  -0.768392D+01 -0.109835D+02  0.238859D+01 -0.529861D+01 -0.104938D+02
      4   0.790311D+01  0.330441D+01 -0.747582D+01 -0.346736D+01 -0.889733D+01
      5   0.354804D+01 -0.113017D+02  0.161019D+02 -0.781396D+01 -0.106531D+02
      6   0.146751D+01  0.431411D+01  0.125047D+00  0.947554D+00 -0.884489D+01
                46            47            48            49            50 
      1  -0.172879D+03 -0.312442D+02 -0.345743D+02 -0.532317D+02 -0.172813D+02
      2   0.957549D+02  0.140432D+02  0.190669D+02  0.278287D+02  0.117601D+02
      3   0.771245D+02  0.172010D+02  0.155073D+02  0.254030D+02  0.552119D+01
      4  -0.527006D+02 -0.271875D+02 -0.107916D+02 -0.113716D+02 -0.107629D+02
      5  -0.720885D+02 -0.147617D+02 -0.291127D+02 -0.259431D+02 -0.370268D+01
      6  -0.190442D+02 -0.343965D+01 -0.535865D+01 -0.261075D+00 -0.605119D+01
                51            52            53            54            55 
      1  -0.108715D+02 -0.446682D+02 -0.116004D+02 -0.173299D+02  0.186144D+03
      2   0.862916D+01  0.166644D+02  0.547399D+00  0.135008D+02 -0.979058D+02
      3   0.224236D+01  0.280038D+02  0.110530D+02  0.382915D+01 -0.882386D+02
      4  -0.198946D+01 -0.204262D+02 -0.131872D+01  0.297409D+01  0.465649D+02
      5   0.131441D+01 -0.229066D+02  0.370961D+01  0.114848D+02  0.687629D+02
      6   0.184741D+01  0.272165D+01 -0.389903D+01 -0.395505D+01  0.106430D+02
                56            57            58            59            60 
      1   0.310668D+02  0.369784D+02  0.584050D+02  0.285629D+02  0.571474D+01
      2  -0.117092D+02 -0.237629D+02 -0.258021D+02 -0.633149D+01 -0.133156D+01
      3  -0.193576D+02 -0.132154D+02 -0.326029D+02 -0.222314D+02 -0.438318D+01
      4   0.348726D+02  0.104128D+02  0.540788D+02  0.346359D+02  0.171352D+02
      5   0.125382D+02  0.407662D+02  0.202426D+02  0.188560D+02  0.108648D+02
      6   0.639797D+01  0.450201D+01  0.107154D+02  0.858453D+01  0.978244D+01
                61            62            63            64            65 
      1   0.881284D+02  0.119972D+02  0.277769D+02 -0.268325D+02  0.145685D+02
      2  -0.535666D+02 -0.502006D+01 -0.250708D+02  0.834491D+01 -0.463417D+01
      3  -0.345618D+02 -0.697713D+01 -0.270609D+01  0.184875D+02 -0.993431D+01
      4   0.228947D+02  0.150459D+02  0.120867D+02  0.157342D+02 -0.682854D+00
      5   0.653899D+02  0.142084D+02  0.422676D+02 -0.184699D+02  0.234011D+02
      6   0.105519D+02  0.102072D+02  0.538196D+01  0.102216D+02 -0.106345D+02
                66            67            68            69            70 
      1  -0.144700D+02  0.894412D+01  0.100610D+02  0.318392D+02 -0.233802D+02
      2  -0.986262D+00  0.113987D+01 -0.618894D+01 -0.243941D+02  0.113090D+01
      3   0.154563D+02 -0.100840D+02 -0.387209D+01 -0.744506D+01  0.222493D+02
      4   0.280182D+02 -0.517059D+01  0.947897D+01  0.102776D+02  0.339168D+02
      5  -0.309598D+00  0.238921D+02  0.151361D+02 -0.121921D+02 -0.312592D+01
      6  -0.463743D+01 -0.680037D+01 -0.113992D+02 -0.615995D+01 -0.326517D+01
                71            72            73            74            75 
      1   0.333903D+02 -0.478762D+01 -0.438791D+02 -0.161752D+02 -0.123749D+02
      2  -0.249586D+02  0.549839D+01  0.180391D+02  0.753470D+01 -0.258543D+01
      3  -0.843168D+01 -0.710766D+00  0.258400D+02  0.864048D+01  0.149603D+02
      4   0.744091D+01 -0.492754D+01 -0.217900D+02 -0.229283D+00 -0.325422D+01
      5  -0.899173D+01  0.924772D+01 -0.144800D+02 -0.383053D+01  0.949964D+01
      6  -0.658803D+01  0.362564D+00 -0.282943D+01 -0.233400D+01  0.812199D+01
                76            77            78            79            80 
      1  -0.146337D+02  0.728637D+01 -0.335327D+01 -0.382638D+01 -0.130915D+01
      2   0.110928D+02 -0.554832D+00  0.106416D+02 -0.511339D+01  0.725356D+01
      3   0.354088D+01 -0.673154D+01 -0.728833D+01  0.893977D+01 -0.594442D+01
      4   0.894655D+01  0.277911D+02  0.102941D+02 -0.110662D-01  0.329024D+01
      5  -0.530853D+01  0.171234D+02 -0.819788D+01  0.123355D+02 -0.777279D+01
      6   0.355134D+01  0.101003D+02 -0.979150D+00  0.660893D+01 -0.346046D+01
                81            82            83            84            85 
      1   0.218266D+02 -0.888908D+01 -0.114453D+02 -0.842120D+01 -0.139849D+02
      2  -0.482918D+01  0.145140D+02  0.274140D+02  0.101318D+02  0.255185D+02
      3  -0.169974D+02 -0.562490D+01 -0.159687D+02 -0.171057D+01 -0.115336D+02
      4  -0.364914D+01  0.642466D+01  0.941557D+01  0.896715D+01  0.197642D+02
      5  -0.691119D+01  0.564552D+00  0.879886D+01 -0.163510D+02  0.667196D+01
      6  -0.930606D+01  0.416354D+00  0.845945D+01 -0.147414D+02  0.171058D+01
                86            87            88            89            90 
      1   0.107327D+02  0.650701D+01 -0.233033D+02  0.740991D+01 -0.115516D+02
      2  -0.109213D+02 -0.571639D+01  0.237117D+02 -0.524419D+01  0.843011D+01
      3   0.188634D+00 -0.790623D+00 -0.408448D+00 -0.216572D+01  0.312145D+01
      4   0.118981D+02  0.536301D+01  0.155427D+02  0.116246D+02 -0.983890D+01
      5  -0.270853D+01 -0.452871D+00 -0.235188D+02 -0.595438D+01  0.554553D+01
      6  -0.482482D+01 -0.150053D+01 -0.185517D+02 -0.317911D+01  0.576950D+01
                91            92            93            94            95 
      1  -0.560710D+02 -0.344379D+01  0.320721D+02 -0.111782D+02  0.229359D+02
      2   0.343278D+02 -0.342252D+01 -0.943208D+01  0.364618D+01 -0.180690D+02
      3   0.217432D+02  0.686631D+01 -0.226400D+02  0.753206D+01 -0.486694D+01
      4  -0.223580D+01  0.145778D+02  0.762486D+00  0.988520D+01  0.229942D+02
      5   0.294637D+02  0.249037D+01  0.970217D+01  0.584660D+01  0.408366D+01
      6   0.198380D+01 -0.675966D+01  0.127405D+01 -0.436484D+01 -0.101347D+02
                96            97            98            99           100 
      1  -0.259478D+01  0.179305D+02 -0.450140D+01  0.152058D+02  0.791536D+02
      2  -0.988434D+01 -0.321621D+01 -0.338069D+01 -0.826708D+01 -0.381400D+02
      3   0.124791D+02 -0.147143D+02  0.788209D+01 -0.693877D+01 -0.410136D+02
      4   0.670212D+01  0.273509D+01  0.190097D+01 -0.122606D+02  0.346639D+02
      5  -0.116761D+02  0.141814D+02 -0.106155D+02 -0.103871D+02  0.243331D+02
      6  -0.370600D+01 -0.835394D+00  0.163126D+01  0.106054D+02  0.748261D+01
               101           102           103           104           105 
      1   0.146902D+02  0.128482D+02  0.710646D+01  0.752608D+01  0.107833D+01
      2  -0.368889D+01 -0.783304D+01 -0.335993D+00  0.158089D-01 -0.112119D+01
      3  -0.110013D+02 -0.501514D+01 -0.677047D+01 -0.754189D+01  0.428627D-01
      4   0.200565D+02  0.759494D+01  0.156945D+02  0.744035D+01  0.249536D+01
      5   0.638785D+01  0.143331D+02  0.327748D+01  0.196588D+01  0.243976D+01
      6   0.444896D+01  0.427332D+01  0.311342D+01  0.643330D+00  0.279357D+01
               106           107           108           109           110 
      1   0.369172D+01  0.904649D+00  0.493962D+01  0.133980D+00  0.566322D+01
      2  -0.307948D+01 -0.219915D+01 -0.449642D+01 -0.200821D+01 -0.332419D+01
      3  -0.612239D+00  0.129450D+01 -0.443201D+00  0.187423D+01 -0.233903D+01
      4   0.257127D+01  0.592239D-03  0.505667D+01  0.196593D+01 -0.181372D+01
      5   0.111674D+02  0.408262D+01  0.649562D+01  0.261459D+01 -0.361166D-01
      6   0.307356D+01  0.255802D+01  0.328272D+01  0.348528D+01 -0.336612D+01
               111           112           113           114           115 
      1   0.103581D+02  0.266549D+01 -0.727417D+01 -0.451489D+01  0.769963D+01
      2   0.117343D+00 -0.191303D+01  0.318071D+01  0.175386D+01 -0.339884D+01
      3  -0.104754D+02 -0.752464D+00  0.409346D+01  0.276103D+01 -0.430079D+01
      4   0.110521D+01  0.148727D+01  0.160980D+01  0.382469D+01  0.367150D+01
      5  -0.379643D+01  0.157386D+01  0.265536D+01  0.539301D+01  0.473828D+01
      6  -0.604177D+01 -0.759854D+00  0.568750D+01  0.100487D+02  0.430664D+00
               116           117           118           119           120 
      1  -0.727542D+01 -0.231011D+02  0.184747D+00 -0.346966D+00 -0.204926D+01
      2   0.144804D+01 -0.859910D+01 -0.375416D+01 -0.264161D-01 -0.134667D-01
      3   0.582739D+01  0.317002D+02  0.356941D+01  0.373383D+00  0.206273D+01
      4   0.815538D+01  0.754149D+01 -0.137739D+01  0.256475D+01  0.271033D+00
      5   0.881218D+01  0.282212D+02 -0.665267D+00  0.125234D+01  0.597590D+01
      6   0.113173D+02  0.216074D+02  0.127602D+01  0.198564D+00 -0.133859D-01
               121           122           123           124           125 
      1   0.797573D+00 -0.618548D+01 -0.522487D+01 -0.119978D+01 -0.274252D+01
      2  -0.495489D+00  0.173795D+01 -0.219569D+01  0.141406D+01 -0.239810D+01
      3  -0.302084D+00  0.444753D+01  0.742056D+01 -0.214277D+00  0.514062D+01
      4   0.228135D+01 -0.236342D+01 -0.221473D+01 -0.188706D-01 -0.289052D+01
      5   0.207538D+01 -0.236720D+01 -0.310762D+01  0.549834D+01 -0.246187D+01
      6  -0.277738D+00  0.224923D+01  0.646463D+01 -0.687849D+00  0.571844D+01
               126           127           128           129           130 
      1  -0.234758D+02 -0.749734D+01  0.185948D+02  0.741200D+00  0.106465D+02
      2  -0.122218D+02  0.975049D+01 -0.266105D+02 -0.147764D+01 -0.136585D+02
      3   0.356977D+02 -0.225315D+01  0.801579D+01  0.736439D+00  0.301203D+01
      4  -0.412359D+01 -0.520452D+01  0.215775D+01 -0.593736D+00  0.592382D+01
      5  -0.118308D+02  0.519953D+00 -0.830364D+00  0.152896D+01 -0.787689D+00
      6   0.219801D+01  0.314800D+00  0.135781D+00 -0.216129D+01  0.183386D+00
               131           132           133           134           135 
      1  -0.342859D+02 -0.515084D+00  0.363962D+01 -0.608237D+01 -0.403796D+01
      2   0.529819D+02  0.171074D+01 -0.340928D+01  0.941284D+01  0.509863D+01
      3  -0.186960D+02 -0.119566D+01 -0.230340D+00 -0.333046D+01 -0.106068D+01
      4   0.807619D+01 -0.477686D+00  0.333711D+00  0.124100D+01  0.203384D+01
      5   0.186301D+00  0.239907D+01  0.335429D+01  0.258494D+01  0.288173D-01
      6  -0.709706D+00  0.728054D+01  0.670327D+00  0.813026D+01  0.170589D+01
               136           137           138           139           140 
      1   0.110246D+02  0.115396D+01 -0.208118D+01  0.309469D+01 -0.512093D+01
      2  -0.491275D+01  0.184220D+01  0.779037D+00 -0.718909D+00  0.883602D+01
      3  -0.611188D+01 -0.299616D+01  0.130214D+01 -0.237578D+01 -0.371509D+01
      4   0.165285D+02  0.133452D+02 -0.111242D+02  0.965926D+01  0.108156D+02
      5  -0.165400D+02 -0.952481D+01  0.171136D+02 -0.551244D+01 -0.854111D+01
      6  -0.101298D+02 -0.880655D+01  0.117338D+02 -0.628352D+01 -0.974573D+01
               141           142           143           144           145 
      1   0.251628D+01 -0.979890D-01  0.611462D+01 -0.560215D+01  0.147744D+02
      2  -0.399997D+01 -0.793990D+00 -0.713387D+01 -0.253038D+01 -0.101536D+02
      3   0.148369D+01  0.891979D+00  0.101926D+01  0.813253D+01 -0.462077D+01
      4  -0.879223D+01 -0.165118D+02 -0.151701D+02  0.149121D+02 -0.239205D+02
      5   0.751719D+01  0.203076D+02  0.136170D+02 -0.247418D+02  0.259827D+02
      6   0.933801D+01  0.149438D+02  0.160390D+02 -0.222563D+02 -0.129631D+02
               146           147           148           149           150 
      1  -0.860371D+00  0.183078D+01 -0.101730D+01 -0.299551D+01  0.151736D+01
      2  -0.139866D+01 -0.594355D+01 -0.589641D+00  0.662918D+01 -0.100892D+01
      3   0.225903D+01  0.411277D+01  0.160694D+01 -0.363367D+01 -0.508445D+00
      4   0.182821D+02 -0.160137D+02  0.129206D+02 -0.133060D+02  0.980091D+01
      5  -0.136555D+02  0.231938D+02 -0.890031D+01  0.873246D+01 -0.829147D+01
      6   0.126589D+02 -0.141580D+02  0.869217D+01 -0.101708D+02  0.977161D+01
               151           152           153           154           155 
      1   0.388636D+01  0.175570D+01 -0.300764D+01 -0.620003D+01 -0.107557D+02
      2  -0.599417D+01  0.140119D+00 -0.758729D+01  0.758668D+01  0.165463D+02
      3   0.210782D+01 -0.189582D+01  0.105949D+02 -0.138666D+01 -0.579058D+01
      4  -0.136070D+02  0.103078D+02 -0.129806D+02  0.210469D+01  0.279914D+01
      5   0.195163D+02 -0.111087D+02  0.216660D+02 -0.114518D+01 -0.436288D+01
      6  -0.109057D+02  0.110284D+02 -0.155550D+02 -0.139904D+01 -0.166003D+01
               156           157           158           159           160 
      1   0.822524D+00 -0.664779D+01 -0.242101D+02 -0.148028D+01 -0.215858D+01
      2   0.230911D+01  0.100767D+02  0.401719D+02  0.549623D+01  0.361055D+01
      3  -0.313163D+01 -0.342895D+01 -0.159618D+02 -0.401595D+01 -0.145197D+01
      4  -0.116180D+01  0.475063D+01 -0.876935D+01  0.733025D+00  0.322394D+00
      5   0.825834D+00 -0.443717D+01 -0.480866D+01 -0.373160D+01  0.630523D+00
      6   0.189079D+01 -0.325021D+00 -0.578023D+01  0.606597D+01  0.319695D+00
               161           162           163           164           165 
      1  -0.927179D+01 -0.297976D+01 -0.643381D+01 -0.244766D+01  0.111081D+02
      2   0.149112D+02  0.444186D+01 -0.483337D+01  0.581267D+01  0.426079D+01
      3  -0.563944D+01 -0.146209D+01  0.112672D+02 -0.336501D+01 -0.153689D+02
      4  -0.349959D+01 -0.850187D+00  0.678138D+01 -0.142101D+01 -0.530916D+01
      5  -0.327583D+01 -0.223069D+01 -0.434384D+01 -0.614333D+00  0.277483D+01
      6   0.337476D+01  0.405948D+01 -0.170736D+01 -0.269781D+01  0.407859D+01
               166           167           168           169           170 
      1   0.131052D+01 -0.236022D+01 -0.685416D+01  0.884356D+01 -0.217264D+01
      2   0.393675D+01 -0.365666D+00 -0.202167D+01  0.389777D+01 -0.182674D+01
      3  -0.524727D+01  0.272589D+01  0.887582D+01 -0.127413D+02  0.399938D+01
      4  -0.288787D+01  0.304137D+01  0.150257D+01 -0.654817D+01  0.212954D+01
      5   0.393237D+00 -0.106523D+01  0.197764D+01  0.527771D+01 -0.129195D+01
      6  -0.225381D+01  0.336846D+01  0.652260D+00  0.174615D+01  0.368421D+01
               171           172           173           174           175 
      1  -0.146296D+02 -0.360210D+01 -0.120606D+02 -0.513773D+01 -0.924020D+01
      2  -0.873069D+01  0.330680D+01  0.994538D+01  0.270103D+01  0.389068D+01
      3   0.233603D+02  0.295307D+00  0.211519D+01  0.243670D+01  0.534951D+01
      4   0.449193D+01 -0.638340D+00 -0.426400D+01 -0.431106D+01  0.779095D+01
      5   0.190359D+01  0.230322D+01 -0.359867D+01 -0.293275D+01  0.235458D+01
      6  -0.590403D+01  0.151885D+01  0.662900D+01  0.537623D+01 -0.484922D+00
               176           177           178           179           180 
      1  -0.217098D+02 -0.131614D+02 -0.251451D+01 -0.139691D+02 -0.101555D+02
      2   0.256129D+02  0.948822D+01  0.203510D+01  0.100282D+02  0.330687D+01
      3  -0.390310D+01  0.367318D+01  0.479409D+00  0.394094D+01  0.684859D+01
      4  -0.280522D+02 -0.132257D+02  0.306570D+00 -0.130734D+02 -0.907903D+01
      5  -0.133079D+02 -0.105593D+02  0.432370D+01 -0.914954D+01 -0.129230D+02
      6   0.201435D+02  0.146983D+02  0.389721D-01  0.142838D+02  0.127643D+02
               181           182           183           184           185 
      1   0.678858D+02 -0.178253D+02  0.132305D+02 -0.161352D+02  0.855192D+01
      2  -0.274077D+02  0.305354D+01 -0.377333D+01  0.171151D+01  0.122645D+01
      3  -0.404781D+02  0.147717D+02 -0.945715D+01  0.144237D+02 -0.977837D+01
      4  -0.355756D+02  0.201426D+02 -0.845746D+01  0.213879D+02 -0.164508D+02
      5   0.815460D+01 -0.405869D+01  0.124019D+02 -0.389150D+01  0.129468D+01
      6  -0.341558D+01  0.138603D+01 -0.367698D+01  0.127715D+01  0.172284D+00
               186           187           188           189           190 
      1  -0.537240D+01  0.303200D+02 -0.970722D+01  0.107681D+02  0.181851D+02
      2   0.158942D+01 -0.105937D+02  0.193703D+01 -0.493352D+01 -0.129280D+02
      3   0.378298D+01 -0.197263D+02  0.777019D+01 -0.583457D+01 -0.525710D+01
      4   0.385379D+01 -0.200527D+02  0.118173D+02 -0.683057D+01  0.243326D+01
      5  -0.303340D+01  0.125145D+02 -0.394674D+01  0.118455D+02 -0.135962D+02
      6   0.360533D+01 -0.415067D+01  0.342418D+01 -0.490618D+01 -0.132310D+01
               191           192           193           194           195 
      1   0.453359D+01 -0.878919D+01  0.138594D+02  0.297792D+01 -0.875508D+01
      2  -0.456123D+01  0.993095D+01 -0.110469D+02 -0.479971D+01  0.123092D+02
      3   0.276387D-01 -0.114175D+01 -0.281250D+01  0.182178D+01 -0.355412D+01
      4   0.556408D+01 -0.563496D+01  0.546296D+01  0.135184D+02 -0.905836D+01
      5  -0.798047D+01  0.148241D+02 -0.149417D+02 -0.110005D+02  0.179648D+02
      6  -0.294157D+00  0.176353D+00 -0.257145D+00 -0.379248D+01  0.293372D+01
               196           197           198           199           200 
      1  -0.112791D+02 -0.608497D+01  0.747445D+01  0.202844D+00 -0.160779D+01
      2   0.133908D+02  0.938451D+01 -0.180918D+02  0.116825D+01  0.140126D+01
      3  -0.211165D+01 -0.329954D+01  0.106174D+02 -0.137109D+01  0.206536D+00
      4  -0.547148D+01 -0.101738D+02  0.711715D+01 -0.106906D+01  0.129138D+01
      5   0.209697D+02  0.105375D+02 -0.311546D+02 -0.360583D+01  0.923129D+00
      6  -0.426228D+00  0.486265D+01  0.519295D+00  0.616910D+00  0.200256D-01
               201           202           203           204           205 
      1  -0.223691D+01 -0.200586D+01 -0.751230D+00 -0.458608D+01 -0.358408D+01
      2   0.176948D+01 -0.151916D+01  0.858098D+00  0.230767D+01  0.286570D+01
      3   0.467431D+00  0.352502D+01 -0.106867D+00  0.227841D+01  0.718378D+00
      4   0.177008D+01  0.881580D+00 -0.764597D+00 -0.216107D+01  0.227839D+01
      5   0.390534D+01  0.466978D+00 -0.580066D+00 -0.217410D+01  0.367527D+01
      6  -0.287225D+00 -0.683912D+00  0.340716D+01  0.327780D+01  0.752970D-01
               206           207           208           209           210 
      1  -0.519527D+01 -0.813179D+01 -0.540393D+00  0.136177D+01  0.328189D+01
      2   0.403416D+01  0.132021D+01 -0.180851D+01 -0.676329D+00 -0.888694D+00
      3   0.116110D+01  0.681158D+01  0.234890D+01 -0.685439D+00 -0.239319D+01
      4  -0.218237D+01 -0.400043D+01  0.156338D+01  0.177156D+01  0.175240D+01
      5  -0.328803D+01 -0.695591D+01  0.306124D+01  0.203793D+01  0.561207D+01
      6   0.438418D+01  0.658107D+01  0.209930D+01 -0.174557D+00  0.429902D+00
               211           212           213           214           215 
      1   0.224918D+01 -0.645805D+01 -0.794907D+01  0.328509D+01 -0.753960D+01
      2  -0.333459D+01  0.159382D+01 -0.553892D+00 -0.270546D+01  0.914910D+00
      3   0.108541D+01  0.486423D+01  0.850296D+01 -0.579629D+00  0.662469D+01
      4  -0.604837D+00  0.322510D+01  0.381857D+01  0.243704D+01  0.446994D+01
      5   0.333295D+01  0.462317D+01  0.861023D+01  0.472719D+01  0.662767D+01
      6  -0.761221D+00  0.531942D+01  0.653773D+01  0.159065D+01  0.795720D+01
               216           217           218           219           220 
      1  -0.234861D+02  0.272608D+01 -0.808914D+01 -0.576937D+01 -0.103722D+02
      2  -0.636607D+01  0.224813D+00  0.642468D+01  0.143178D+01  0.541015D+01
      3   0.298522D+02 -0.295090D+01  0.166446D+01  0.433759D+01  0.496209D+01
      4   0.549649D+01 -0.276305D+01 -0.325499D+01 -0.144659D+01  0.615102D+01
      5   0.217482D+02 -0.873579D+00  0.160704D+00 -0.398700D+01  0.725418D+01
      6   0.942095D+01  0.182584D+01  0.363920D+01  0.176897D+01 -0.141640D+01
               221           222           223           224           225 
      1  -0.204586D+02 -0.387306D+01 -0.432593D+01 -0.291838D+01 -0.658505D+01
      2   0.273506D+02  0.229811D+01  0.203308D+01  0.249120D+00  0.244512D+01
      3  -0.689199D+01  0.157494D+01  0.229284D+01  0.266926D+01  0.413993D+01
      4  -0.421567D+02 -0.105265D+02 -0.103049D+01 -0.299143D+01 -0.396566D+01
      5  -0.810732D+01 -0.112513D+02  0.663934D+00 -0.378547D+01 -0.348704D+01
      6   0.194142D+02  0.980618D+01 -0.980592D-01  0.660180D+01  0.258641D+01
               226           227           228           229           230 
      1  -0.542339D+01  0.628784D+01 -0.156258D+02  0.790518D+01 -0.112674D+02
      2  -0.567893D+00 -0.115369D+01 -0.339437D+00 -0.361389D+01  0.410115D+01
      3   0.599128D+01 -0.513415D+01  0.159652D+02 -0.429129D+01  0.716624D+01
      4   0.390748D+01 -0.540843D+01  0.131503D+01 -0.167667D+01  0.472174D+01
      5  -0.187325D+00 -0.254402D+00 -0.928912D+01 -0.307134D+01 -0.620981D+01
      6  -0.279567D+01  0.445109D+01 -0.252655D+01  0.205689D+01 -0.561468D+01
               231           232           233           234           235 
      1   0.879424D+01 -0.160729D+02  0.722458D+01 -0.220619D+02  0.815840D+02
      2   0.327807D+01  0.555162D+01  0.150987D+01 -0.725454D+01 -0.459339D+02
      3  -0.120723D+02  0.105213D+02 -0.873445D+01  0.293165D+02 -0.356501D+02
      4  -0.792877D+01  0.306734D+01 -0.809030D+01  0.708623D+01 -0.738131D+01
      5   0.122430D+02  0.206997D+01  0.562966D+01 -0.223133D+02 -0.433824D+02
      6   0.845706D+01 -0.189136D+01  0.672450D+01 -0.627059D+01  0.897322D-01
               236           237           238           239           240 
      1  -0.772401D+00 -0.217722D+02  0.560183D+01  0.605706D+01 -0.116461D+01
      2  -0.356628D+00  0.161882D+02 -0.336651D+01 -0.215386D+01  0.199456D+01
      3   0.112903D+01  0.558402D+01 -0.223533D+01 -0.390320D+01 -0.829945D+00
      4   0.120075D+02  0.205607D+01  0.100264D+02 -0.114490D+01 -0.416072D+01
      5   0.432892D+00  0.248582D+02 -0.340223D+01 -0.524320D+01  0.346140D+01
      6  -0.389923D+01 -0.945401D+00 -0.340177D+01  0.310970D+00  0.251915D+01
               241           242           243 
      1  -0.124275D+02  0.426970D+00  0.932776D+01
      2   0.107256D+02  0.585516D+00 -0.911664D+01
      3   0.170191D+01 -0.101249D+01 -0.211118D+00
      4   0.942489D+00 -0.246228D+01  0.382676D+00
      5   0.177277D+02  0.950179D+00 -0.125917D+02
      6  -0.124755D+01  0.199329D+01 -0.267219D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 12:05:05 2021, MaxMem=  6442450944 cpu:           23670.9 elap:            2959.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.24773 -10.38829 -10.32617 -10.32118 -10.31325
 Alpha  occ. eigenvalues --  -10.30620 -10.30512 -10.30096 -10.30018 -10.29449
 Alpha  occ. eigenvalues --  -10.29247  -1.12911  -0.97203  -0.89964  -0.84862
 Alpha  occ. eigenvalues --   -0.83034  -0.78843  -0.77407  -0.71304  -0.69221
 Alpha  occ. eigenvalues --   -0.63498  -0.60969  -0.58187  -0.56981  -0.55257
 Alpha  occ. eigenvalues --   -0.54277  -0.53378  -0.52676  -0.51131  -0.49681
 Alpha  occ. eigenvalues --   -0.48443  -0.48073  -0.47028  -0.45616  -0.45228
 Alpha  occ. eigenvalues --   -0.44656  -0.43613  -0.40758  -0.39663  -0.38636
 Alpha  occ. eigenvalues --   -0.34517  -0.33487
 Alpha virt. eigenvalues --    0.01046   0.07538   0.09102   0.10163   0.10193
 Alpha virt. eigenvalues --    0.12261   0.12461   0.12907   0.13257   0.13668
 Alpha virt. eigenvalues --    0.15015   0.15244   0.15786   0.16634   0.17255
 Alpha virt. eigenvalues --    0.17858   0.18157   0.18674   0.18955   0.19805
 Alpha virt. eigenvalues --    0.20577   0.21354   0.21606   0.22211   0.22856
 Alpha virt. eigenvalues --    0.23671   0.24519   0.24663   0.25185   0.25856
 Alpha virt. eigenvalues --    0.26110   0.27119   0.28067   0.28559   0.28821
 Alpha virt. eigenvalues --    0.29069   0.30147   0.30468   0.31264   0.32262
 Alpha virt. eigenvalues --    0.32804   0.33297   0.34695   0.35361   0.35755
 Alpha virt. eigenvalues --    0.35905   0.36350   0.36801   0.37400   0.37923
 Alpha virt. eigenvalues --    0.38354   0.38809   0.39139   0.39910   0.40417
 Alpha virt. eigenvalues --    0.40587   0.40922   0.41168   0.41732   0.41960
 Alpha virt. eigenvalues --    0.42355   0.43046   0.43325   0.44036   0.44166
 Alpha virt. eigenvalues --    0.45026   0.45170   0.45390   0.46120   0.46324
 Alpha virt. eigenvalues --    0.46452   0.46748   0.47341   0.48040   0.48305
 Alpha virt. eigenvalues --    0.48760   0.49243   0.49499   0.50074   0.50147
 Alpha virt. eigenvalues --    0.51250   0.51774   0.52090   0.52893   0.53181
 Alpha virt. eigenvalues --    0.53378   0.53840   0.53958   0.54740   0.55223
 Alpha virt. eigenvalues --    0.55756   0.56386   0.56747   0.57562   0.58169
 Alpha virt. eigenvalues --    0.58321   0.58477   0.59493   0.60721   0.60858
 Alpha virt. eigenvalues --    0.61303   0.61456   0.61590   0.61999   0.63062
 Alpha virt. eigenvalues --    0.63392   0.63923   0.64297   0.65226   0.65692
 Alpha virt. eigenvalues --    0.65793   0.65942   0.67012   0.67923   0.68263
 Alpha virt. eigenvalues --    0.68975   0.69491   0.70356   0.70781   0.72111
 Alpha virt. eigenvalues --    0.72397   0.73524   0.73946   0.74463   0.74826
 Alpha virt. eigenvalues --    0.75703   0.75934   0.76757   0.77333   0.78210
 Alpha virt. eigenvalues --    0.79013   0.80252   0.80815   0.81512   0.82320
 Alpha virt. eigenvalues --    0.84397   0.84661   0.85265   0.86358   0.87540
 Alpha virt. eigenvalues --    0.88181   0.89270   0.89946   0.90402   0.93779
 Alpha virt. eigenvalues --    0.95444   0.96901   1.00080   1.00848   1.01751
 Alpha virt. eigenvalues --    1.03925   1.04219   1.04820   1.05144   1.05995
 Alpha virt. eigenvalues --    1.06217   1.06560   1.08112   1.08673   1.09201
 Alpha virt. eigenvalues --    1.09628   1.11393   1.11586   1.12196   1.13272
 Alpha virt. eigenvalues --    1.14416   1.14704   1.15464   1.18480   1.19297
 Alpha virt. eigenvalues --    1.21488   1.22235   1.24546   1.25452   1.27430
 Alpha virt. eigenvalues --    1.29096   1.29705   1.30930   1.32027   1.34711
 Alpha virt. eigenvalues --    1.34791   1.35803   1.37401   1.38796   1.40140
 Alpha virt. eigenvalues --    1.41591   1.42564   1.44190   1.44724   1.45763
 Alpha virt. eigenvalues --    1.47890   1.48811   1.49200   1.53152   1.54561
 Alpha virt. eigenvalues --    1.55784   1.57973   1.59395   1.61683   1.62098
 Alpha virt. eigenvalues --    1.64271   1.66689   1.67783   1.68078   1.70280
 Alpha virt. eigenvalues --    1.71908   1.73849   1.74123   1.75297   1.77635
 Alpha virt. eigenvalues --    1.78709   1.80505   1.81272   1.82853   1.84914
 Alpha virt. eigenvalues --    1.85091   1.85949   1.87181   1.89920   1.92154
 Alpha virt. eigenvalues --    1.93151   1.93812   1.95047   1.95789   1.96794
 Alpha virt. eigenvalues --    1.98479   1.99422   2.01624   2.03020   2.05736
 Alpha virt. eigenvalues --    2.06829   2.07860   2.08816   2.09914   2.11137
 Alpha virt. eigenvalues --    2.11627   2.12959   2.13730   2.14932   2.16415
 Alpha virt. eigenvalues --    2.18108   2.18421   2.20353   2.22105   2.22809
 Alpha virt. eigenvalues --    2.23912   2.25643   2.27189   2.29240   2.30013
 Alpha virt. eigenvalues --    2.30829   2.31351   2.32679   2.35746   2.35797
 Alpha virt. eigenvalues --    2.36921   2.38439   2.39392   2.41821   2.44779
 Alpha virt. eigenvalues --    2.46688   2.48228   2.48956   2.50865   2.52672
 Alpha virt. eigenvalues --    2.55538   2.56245   2.58696   2.59800   2.62624
 Alpha virt. eigenvalues --    2.62965   2.64629   2.66353   2.67699   2.68457
 Alpha virt. eigenvalues --    2.72261   2.72950   2.75673   2.79154   2.79500
 Alpha virt. eigenvalues --    2.81263   2.83646   2.83957   2.85230   2.91651
 Alpha virt. eigenvalues --    2.95447   2.98235   3.00184   3.02938   3.05692
 Alpha virt. eigenvalues --    3.06820   3.08500   3.13178   3.13680   3.14726
 Alpha virt. eigenvalues --    3.17286   3.17812   3.20796   3.22782   3.23259
 Alpha virt. eigenvalues --    3.25635   3.26340   3.27671   3.29421   3.32547
 Alpha virt. eigenvalues --    3.40598   3.49429   3.57210   3.93203
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.685512  -1.072265  -0.108402  -0.023010  -0.020244   0.004582
     2  C   -1.072265  11.772968  -0.591304  -0.207661   0.187250  -0.000066
     3  C   -0.108402  -0.591304   7.337568   0.140906  -0.509425   0.101127
     4  C   -0.023010  -0.207661   0.140906   7.603095  -0.563081  -0.010433
     5  C   -0.020244   0.187250  -0.509425  -0.563081   9.515014  -0.616131
     6  C    0.004582  -0.000066   0.101127  -0.010433  -0.616131   5.748582
     7  O    0.000224  -0.001784   0.006901   0.091616  -0.166370   0.380816
     8  C   -0.216374  -0.278292   0.102618   0.009617  -0.004963   0.000384
     9  C   -0.053842  -0.387666   0.119713   0.110480  -0.017272  -0.000513
    10  C    0.038933   0.346397  -0.150051  -0.155443   0.081941  -0.001472
    11  C   -0.001300   0.000279   0.007428  -0.047281   0.020826   0.516146
    12  H    0.121333  -0.215728  -0.004416   0.014666  -0.000990  -0.000051
    13  H   -0.104584   0.051149   0.152419   0.006295  -0.004092  -0.000077
    14  H    0.160400  -0.598500  -0.559038  -0.351165  -0.261358   0.017957
    15  H    0.002883  -0.045086  -0.100547  -0.087013   0.010601  -0.001004
    16  H   -0.009900   0.092042   0.114300   0.024379  -0.001678   0.000111
    17  H   -0.064666   0.309149   0.011953  -0.003572   0.001614   0.000144
    18  H    0.028123   0.208772   0.009832  -0.003795  -0.007413  -0.002558
    19  H    0.369796  -0.052893  -0.075615   0.021673   0.019991  -0.001613
    20  H    0.017678   0.118777  -0.005793   0.003015  -0.001152   0.000022
    21  H    0.026849   0.171626   0.015962   0.001835  -0.000290  -0.000021
    22  H    0.003044   0.307677  -0.019556  -0.006402   0.000431   0.000053
    23  H    0.007453  -0.153233  -0.210944  -0.437415  -1.040464  -0.016890
    24  H   -0.011002   0.000297  -0.066405  -0.273138   0.115353  -0.202238
    25  H   -0.000015  -0.000189   0.002284   0.001639  -0.049625   0.080401
    26  H    0.000541  -0.001160   0.003716   0.011936  -0.044984   0.072674
    27  H   -0.000028   0.000138  -0.000929   0.020982   0.034869   0.120802
               7          8          9         10         11         12
     1  C    0.000224  -0.216374  -0.053842   0.038933  -0.001300   0.121333
     2  C   -0.001784  -0.278292  -0.387666   0.346397   0.000279  -0.215728
     3  C    0.006901   0.102618   0.119713  -0.150051   0.007428  -0.004416
     4  C    0.091616   0.009617   0.110480  -0.155443  -0.047281   0.014666
     5  C   -0.166370  -0.004963  -0.017272   0.081941   0.020826  -0.000990
     6  C    0.380816   0.000384  -0.000513  -0.001472   0.516146  -0.000051
     7  O    8.166454   0.000086   0.000097  -0.000808  -0.034159   0.000007
     8  C    0.000086   4.879466  -0.031427  -0.041726   0.000049  -0.106046
     9  C    0.000097  -0.031427   5.176423  -0.063995   0.000231   0.227130
    10  C   -0.000808  -0.041726  -0.063995   4.904601  -0.000105   0.041525
    11  C   -0.034159   0.000049   0.000231  -0.000105   4.374620  -0.000001
    12  H    0.000007  -0.106046   0.227130   0.041525  -0.000001   1.778173
    13  H    0.000030   0.063118   0.078497  -0.084475   0.000010  -0.470998
    14  H    0.004469  -0.089962   0.099787  -0.120214  -0.002167   0.020135
    15  H    0.000065  -0.010311   0.034756   0.326785  -0.000137   0.109909
    16  H   -0.000056   0.021408  -0.053351   0.088310   0.000034  -0.167652
    17  H   -0.000035   0.012263   0.030618  -0.010991   0.000149  -0.000429
    18  H    0.000165   0.006896  -0.001670  -0.004709   0.000474   0.000094
    19  H    0.000195   0.015883  -0.041602   0.026173  -0.002108   0.005741
    20  H   -0.000003   0.062252   0.002645   0.007918  -0.000000   0.001512
    21  H    0.000003  -0.025424  -0.000645   0.000700  -0.000000   0.041820
    22  H   -0.000004   0.251725  -0.036372  -0.003816  -0.000001  -0.027581
    23  H    0.020720   0.006017  -0.008781  -0.077363  -0.064842   0.005992
    24  H   -0.047313   0.000427  -0.000479  -0.001604  -0.001198  -0.000003
    25  H    0.008024   0.000023   0.000100  -0.000209   0.226980  -0.000005
    26  H    0.007374   0.000029  -0.000065  -0.000103   0.225355   0.000002
    27  H   -0.024136  -0.000003  -0.000005   0.000043   0.346197   0.000000
              13         14         15         16         17         18
     1  C   -0.104584   0.160400   0.002883  -0.009900  -0.064666   0.028123
     2  C    0.051149  -0.598500  -0.045086   0.092042   0.309149   0.208772
     3  C    0.152419  -0.559038  -0.100547   0.114300   0.011953   0.009832
     4  C    0.006295  -0.351165  -0.087013   0.024379  -0.003572  -0.003795
     5  C   -0.004092  -0.261358   0.010601  -0.001678   0.001614  -0.007413
     6  C   -0.000077   0.017957  -0.001004   0.000111   0.000144  -0.002558
     7  O    0.000030   0.004469   0.000065  -0.000056  -0.000035   0.000165
     8  C    0.063118  -0.089962  -0.010311   0.021408   0.012263   0.006896
     9  C    0.078497   0.099787   0.034756  -0.053351   0.030618  -0.001670
    10  C   -0.084475  -0.120214   0.326785   0.088310  -0.010991  -0.004709
    11  C    0.000010  -0.002167  -0.000137   0.000034   0.000149   0.000474
    12  H   -0.470998   0.020135   0.109909  -0.167652  -0.000429   0.000094
    13  H    1.288953  -0.023546  -0.164155   0.095382  -0.008203  -0.004217
    14  H   -0.023546   3.013911   0.134191  -0.136077  -0.001935   0.006271
    15  H   -0.164155   0.134191   1.648574  -0.407021   0.000252   0.000340
    16  H    0.095382  -0.136077  -0.407021   1.248078  -0.000283  -0.000551
    17  H   -0.008203  -0.001935   0.000252  -0.000283   0.765861  -0.050125
    18  H   -0.004217   0.006271   0.000340  -0.000551  -0.050125   0.667654
    19  H    0.012047   0.004025   0.001597  -0.000033  -0.116962  -0.034969
    20  H   -0.001337   0.025014   0.001254   0.000130  -0.013375   0.011031
    21  H   -0.005308  -0.002526   0.001132  -0.001605   0.002652  -0.008808
    22  H    0.000073  -0.037839  -0.000982   0.012335  -0.000528  -0.003902
    23  H    0.000108   0.150745   0.026282  -0.010206   0.005136   0.016901
    24  H    0.000184  -0.087965  -0.001401   0.000023   0.000204   0.003180
    25  H    0.000098  -0.000043  -0.000149   0.000032   0.000031   0.000019
    26  H    0.000143  -0.000043  -0.000179   0.000013   0.000068  -0.000392
    27  H    0.000006  -0.000049   0.000024  -0.000001  -0.000003  -0.000023
              19         20         21         22         23         24
     1  C    0.369796   0.017678   0.026849   0.003044   0.007453  -0.011002
     2  C   -0.052893   0.118777   0.171626   0.307677  -0.153233   0.000297
     3  C   -0.075615  -0.005793   0.015962  -0.019556  -0.210944  -0.066405
     4  C    0.021673   0.003015   0.001835  -0.006402  -0.437415  -0.273138
     5  C    0.019991  -0.001152  -0.000290   0.000431  -1.040464   0.115353
     6  C   -0.001613   0.000022  -0.000021   0.000053  -0.016890  -0.202238
     7  O    0.000195  -0.000003   0.000003  -0.000004   0.020720  -0.047313
     8  C    0.015883   0.062252  -0.025424   0.251725   0.006017   0.000427
     9  C   -0.041602   0.002645  -0.000645  -0.036372  -0.008781  -0.000479
    10  C    0.026173   0.007918   0.000700  -0.003816  -0.077363  -0.001604
    11  C   -0.002108  -0.000000  -0.000000  -0.000001  -0.064842  -0.001198
    12  H    0.005741   0.001512   0.041820  -0.027581   0.005992  -0.000003
    13  H    0.012047  -0.001337  -0.005308   0.000073   0.000108   0.000184
    14  H    0.004025   0.025014  -0.002526  -0.037839   0.150745  -0.087965
    15  H    0.001597   0.001254   0.001132  -0.000982   0.026282  -0.001401
    16  H   -0.000033   0.000130  -0.001605   0.012335  -0.010206   0.000023
    17  H   -0.116962  -0.013375   0.002652  -0.000528   0.005136   0.000204
    18  H   -0.034969   0.011031  -0.008808  -0.003902   0.016901   0.003180
    19  H    0.918427   0.002380   0.006986  -0.002871  -0.026593   0.000025
    20  H    0.002380   0.628483  -0.027179  -0.038124  -0.001645  -0.000904
    21  H    0.006986  -0.027179   0.711245  -0.037485  -0.000523  -0.000006
    22  H   -0.002871  -0.038124  -0.037485   0.684248   0.000587  -0.000047
    23  H   -0.026593  -0.001645  -0.000523   0.000587   2.570424   0.128821
    24  H    0.000025  -0.000904  -0.000006  -0.000047   0.128821   1.149699
    25  H   -0.000842   0.000000   0.000000   0.000000  -0.009029  -0.008208
    26  H   -0.000351   0.000003   0.000000  -0.000000  -0.005106  -0.006632
    27  H    0.000062  -0.000000   0.000000  -0.000000   0.015308   0.006321
              25         26         27
     1  C   -0.000015   0.000541  -0.000028
     2  C   -0.000189  -0.001160   0.000138
     3  C    0.002284   0.003716  -0.000929
     4  C    0.001639   0.011936   0.020982
     5  C   -0.049625  -0.044984   0.034869
     6  C    0.080401   0.072674   0.120802
     7  O    0.008024   0.007374  -0.024136
     8  C    0.000023   0.000029  -0.000003
     9  C    0.000100  -0.000065  -0.000005
    10  C   -0.000209  -0.000103   0.000043
    11  C    0.226980   0.225355   0.346197
    12  H   -0.000005   0.000002   0.000000
    13  H    0.000098   0.000143   0.000006
    14  H   -0.000043  -0.000043  -0.000049
    15  H   -0.000149  -0.000179   0.000024
    16  H    0.000032   0.000013  -0.000001
    17  H    0.000031   0.000068  -0.000003
    18  H    0.000019  -0.000392  -0.000023
    19  H   -0.000842  -0.000351   0.000062
    20  H    0.000000   0.000003  -0.000000
    21  H    0.000000   0.000000   0.000000
    22  H    0.000000  -0.000000  -0.000000
    23  H   -0.009029  -0.005106   0.015308
    24  H   -0.008208  -0.006632   0.006321
    25  H    0.499083   0.043863  -0.046114
    26  H    0.043863   0.489925  -0.040255
    27  H   -0.046114  -0.040255   0.844098
 Mulliken charges:
               1
     1  C    1.218283
     2  C   -3.960698
     3  C    0.275698
     4  C    0.107273
     5  C   -0.678357
     6  C   -0.190734
     7  O   -0.412578
     8  C    1.372268
     9  C    0.817209
    10  C    0.853759
    11  C    0.434521
    12  H   -0.374138
    13  H    0.122480
    14  H   -0.364480
    15  H   -0.480658
    16  H    0.091837
    17  H    0.131013
    18  H    0.163380
    19  H   -0.048549
    20  H    0.207396
    21  H    0.129009
    22  H   -0.044662
    23  H    0.108540
    24  H    0.304009
    25  H    0.251853
    26  H    0.243629
    27  H   -0.277303
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.464126
     2  C   -3.960698
     3  C   -0.088781
     4  C    0.215813
     5  C   -0.374349
     6  C   -0.190734
     7  O   -0.412578
     8  C    1.664011
     9  C    0.565551
    10  C    0.464939
    11  C    0.652700
 Electronic spatial extent (au):  <R**2>=           2453.5479
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.8050    Y=              1.2580    Z=              1.7698  Tot=              4.3810
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.2875   YY=            -69.3487   ZZ=            -68.2314
   XY=             -4.8744   XZ=             -8.1063   YZ=             -0.2059
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.6650   YY=              4.2739   ZZ=              5.3911
   XY=             -4.8744   XZ=             -8.1063   YZ=             -0.2059
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             68.3759  YYY=             -0.6780  ZZZ=             -1.9463  XYY=             -1.4931
  XXY=             19.2030  XXZ=             29.8313  XZZ=             -0.1239  YZZ=              0.1285
  YYZ=              0.3360  XYZ=              1.3935
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2754.1200 YYYY=           -456.7403 ZZZZ=           -396.4066 XXXY=            -73.8482
 XXXZ=           -114.8935 YYYX=              1.1599 YYYZ=              5.2821 ZZZX=             -1.6091
 ZZZY=              1.8531 XXYY=           -494.9844 XXZZ=           -487.9796 YYZZ=           -144.1745
 XXYZ=            -22.3324 YYXZ=             -2.7692 ZZXY=              0.9801
 N-N= 6.101749443707D+02 E-N=-2.298057880841D+03  KE= 4.599834620127D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 12:05:06 2021, MaxMem=  6442450944 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.46430138D+00 4.66287825D-01 6.48282452D-01
 Polarizability= 1.60415177D+02 6.22841270D+00 1.04662517D+02
                 4.05450575D+00 4.09678593D+00 1.07452185D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.8350   -2.8376        3.7020    3.7037
 2      2.8350    2.8376       -2.0742   -2.0730      -30.0590  -30.0626
 3     -3.7020   -3.7037       28.8290   28.8326        2.0730    2.0730
 4      2.0742    2.0730        0.0000    0.0000       -3.7028   -3.7037
 5      1.2300    1.2300        3.7028    3.7037       -2.8361   -2.8376
 6     -2.0730   -2.0730        2.8361    2.8376       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        8.5129    8.5129       11.1111   11.1111
 2      6.2191    6.2191       -0.0000    0.0000       11.1111   11.1111
 3      6.2191    6.2191        8.5129    8.5129       -0.0000    0.0000
 4      8.5129    8.5129       -6.2191   -6.2191      -90.1879  -90.1879
 5    -11.1111  -11.1111       86.4979   86.4979        6.2191    6.2191
 6      3.6899    3.6899       11.1111   11.1111       -8.5129   -8.5129
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2777    0.0000       11.3347   11.3506      -14.0971  -14.8148
 2    -11.0390  -11.3506        8.6912    8.2921      120.5356  120.2505
 3     14.5360   14.8148     -115.4392 -115.3306       -8.3758   -8.2921
 4     -8.2086   -8.2921       -0.0966    0.0000       14.8942   14.8148
 5     -4.8245   -4.9199      -14.8967  -14.8148       11.3807   11.3506
 6      8.2436    8.2921      -11.5347  -11.3506        0.0076    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2877    0.0000       27.1388   27.3529      -20.5365  -20.8785
 2    -26.9224  -27.3529      -25.4811  -25.9668        4.3692    3.5980
 3     21.1682   20.8785       55.8368   55.7271       26.4940   25.9668
 4     25.9228   25.9668       -0.2582    0.0000       20.9959   20.8785
 5    -59.0538  -59.3251      -20.7916  -20.8785       27.7415   27.3529
 6    -25.9307  -25.9668      -27.1211  -27.3529       -0.1847    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     49.4222   49.3082       33.6814   33.5817      -38.0698  -37.9580
 2     71.6841   71.7166       50.1651   50.5975      -37.7882  -37.9580
 3     71.6486   71.7166       33.4898   33.5817      -23.9505  -24.1399
 4    -16.8238  -17.0158      -21.4967  -22.4084       21.5666   20.5736
 5     14.0101   13.8182       53.0914   52.1829       22.8299   22.4084
 6    -72.6752  -72.7564      -13.4452  -13.8182       17.8123   17.0158
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.8724   -3.3814   -0.0006   -0.0003    0.0004    5.3328
 Low frequencies ---   38.5934   61.4722   73.8002
 Diagonal vibrational polarizability:
       18.0980461      53.8424345      15.2395415
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.5739                61.4698                73.7944
 Red. masses --      4.1603                 2.9417                 3.0486
 Frc consts  --      0.0036                 0.0065                 0.0098
 IR Inten    --      3.3453                 0.4598                 0.9407
 RamAct Fr= 1--      2.3785                 0.5603                 0.5841
  Dep-P Fr= 1--      0.7370                 0.7498                 0.5942
  Dep-U Fr= 1--      0.8486                 0.8570                 0.7455
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0017
 Beta2  Fr= 1--      0.3364                 0.0800                 0.0726
 AlphaG Fr= 1--     -0.0017                 0.0000                 0.0070
 Gamma2 Fr= 1--     -0.1337                 0.1745                 0.2645
 Delta2 Fr= 1--      0.0824                 0.0494                 0.0694
 Raman1 Fr= 1--       9.514                  2.241                  2.336
 ROA1   Fr= 1--     -10.195                 18.335                 27.613
 CID1   Fr= 1--      -1.072                  8.181                 11.819
 Raman2 Fr= 1--       4.037                  0.960                  0.871
 ROA2   Fr= 1--      -3.867                  3.793                  5.792
 CID2   Fr= 1--      -0.958                  3.950                  6.651
 Raman3 Fr= 1--       8.073                  1.921                  1.742
 ROA3   Fr= 1--     -10.195                 18.335                 27.613
 CID3   Fr= 1--      -1.263                  9.546                 15.854
 RC180  Fr= 1--       0.697                  0.714                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.05   0.11     0.08  -0.13  -0.08     0.18  -0.00   0.05
     2   6     0.05   0.01   0.03     0.02  -0.02  -0.00     0.07  -0.01  -0.01
     3   6    -0.01  -0.11   0.01     0.00  -0.09  -0.03    -0.03  -0.02   0.10
     4   6    -0.00  -0.13   0.03     0.01  -0.10  -0.01    -0.02  -0.07   0.12
     5   6    -0.03  -0.01  -0.01    -0.02  -0.06   0.00    -0.01  -0.03   0.07
     6   6    -0.04   0.04  -0.02    -0.01   0.04   0.02    -0.05   0.01  -0.03
     7   8    -0.09   0.28  -0.12    -0.04   0.03   0.06    -0.00  -0.02  -0.07
     8   6     0.06   0.01   0.05     0.15   0.14   0.03    -0.03  -0.01  -0.12
     9   6    -0.01   0.07  -0.07    -0.15   0.01   0.07     0.12  -0.01  -0.05
    10   6    -0.08  -0.05  -0.09    -0.07  -0.05  -0.02    -0.06   0.00   0.08
    11   6     0.02  -0.20   0.09     0.02   0.18  -0.03    -0.16   0.13  -0.10
    12   1    -0.02   0.13  -0.11    -0.17   0.10   0.21     0.12   0.01  -0.21
    13   1     0.00   0.11  -0.07    -0.29  -0.03   0.02     0.27  -0.04   0.02
    14   1    -0.02  -0.17   0.03     0.01  -0.11  -0.02    -0.06   0.01   0.09
    15   1    -0.13  -0.07  -0.13    -0.12  -0.06  -0.11    -0.08  -0.05   0.21
    16   1    -0.12  -0.06  -0.12     0.00  -0.07   0.03    -0.19   0.10   0.02
    17   1     0.17   0.14   0.11     0.08  -0.06  -0.04     0.25   0.02  -0.03
    18   1     0.17  -0.01   0.18     0.21  -0.16  -0.16     0.15  -0.02   0.11
    19   1     0.13   0.05   0.10    -0.03  -0.25  -0.11     0.25  -0.00   0.12
    20   1     0.10  -0.05   0.11     0.29   0.12  -0.04    -0.09  -0.00  -0.08
    21   1     0.10   0.10   0.05     0.16   0.22   0.06     0.03  -0.01  -0.22
    22   1     0.00  -0.02  -0.01     0.12   0.22   0.08    -0.12  -0.00  -0.16
    23   1     0.02  -0.21   0.07     0.02  -0.08  -0.02    -0.03  -0.10   0.14
    24   1    -0.06   0.10  -0.06    -0.05  -0.09   0.01     0.03   0.00   0.06
    25   1     0.12  -0.24   0.29     0.04   0.18  -0.15    -0.22   0.15  -0.19
    26   1    -0.02  -0.40  -0.02     0.02   0.24   0.01    -0.18   0.24  -0.00
    27   1     0.01  -0.15   0.07     0.02   0.22  -0.01    -0.17   0.10  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.6779               151.6878               155.2073
 Red. masses --      1.0329                 2.8305                 3.5188
 Frc consts  --      0.0095                 0.0384                 0.0499
 IR Inten    --      0.0320                 2.8155                 1.1385
 RamAct Fr= 1--      0.0739                 0.3903                 0.8471
  Dep-P Fr= 1--      0.6402                 0.6590                 0.6232
  Dep-U Fr= 1--      0.7806                 0.7945                 0.7679
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0020
 Beta2  Fr= 1--      0.0096                 0.0517                 0.1084
 AlphaG Fr= 1--     -0.0008                 0.0062                -0.0374
 Gamma2 Fr= 1--     -0.0344                -0.8237                 0.3023
 Delta2 Fr= 1--     -0.0145                 0.0554                 0.1152
 Raman1 Fr= 1--       0.296                  1.561                  3.388
 ROA1   Fr= 1--      -3.765                -77.306                 32.703
 CID1   Fr= 1--     -12.740                -49.521                  9.651
 Raman2 Fr= 1--       0.115                  0.620                  1.301
 ROA2   Fr= 1--      -0.709                -20.213                  6.333
 CID2   Fr= 1--      -6.143                -32.596                  4.868
 Raman3 Fr= 1--       0.231                  1.240                  2.602
 ROA3   Fr= 1--      -3.765                -77.306                 32.703
 CID3   Fr= 1--     -16.320                -62.333                 12.569
 RC180  Fr= 1--       0.561                  0.589                  0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.05   0.05     0.08  -0.04   0.04
     2   6     0.00   0.00  -0.00     0.01   0.01   0.00     0.01  -0.03   0.02
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.06   0.01
     4   6    -0.00   0.01   0.00    -0.02  -0.12  -0.10    -0.00   0.01   0.02
     5   6     0.00   0.00   0.01    -0.04   0.01  -0.17    -0.08   0.36  -0.12
     6   6    -0.00   0.01  -0.00     0.01   0.00  -0.05    -0.03   0.08  -0.02
     7   8     0.01  -0.03   0.01    -0.07  -0.02   0.09     0.03  -0.16   0.05
     8   6    -0.00   0.01  -0.01    -0.01  -0.05   0.01     0.04  -0.00   0.03
     9   6     0.00   0.00  -0.00     0.04  -0.00   0.00    -0.02  -0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.13   0.05   0.15     0.02  -0.06  -0.06
    11   6    -0.01   0.01  -0.01     0.19   0.05  -0.03    -0.06  -0.02   0.01
    12   1     0.00   0.00   0.00     0.04   0.02  -0.16    -0.02   0.00   0.04
    13   1    -0.00   0.00  -0.00     0.20  -0.07   0.09    -0.07   0.02  -0.03
    14   1    -0.01  -0.00   0.00     0.12   0.09  -0.04    -0.03  -0.09   0.02
    15   1     0.01   0.00  -0.00    -0.23  -0.08   0.35     0.04  -0.02  -0.13
    16   1     0.00  -0.00  -0.00    -0.23   0.29   0.15     0.05  -0.14  -0.07
    17   1     0.01  -0.00  -0.00     0.00   0.05   0.04     0.11   0.04   0.05
    18   1     0.01  -0.00  -0.01    -0.04   0.05   0.09     0.14  -0.09   0.06
    19   1     0.00  -0.01  -0.00     0.03   0.10   0.05     0.05  -0.08   0.04
    20   1    -0.00   0.01  -0.01    -0.04  -0.05   0.04     0.08  -0.04   0.05
    21   1     0.00   0.01  -0.01    -0.02  -0.06   0.01     0.05   0.05   0.03
    22   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.01     0.00  -0.01   0.01
    23   1    -0.00   0.03  -0.00    -0.05  -0.27  -0.04     0.07  -0.29   0.16
    24   1     0.01  -0.02   0.02    -0.09   0.12  -0.22    -0.13   0.64  -0.24
    25   1     0.52  -0.15   0.20     0.28   0.03  -0.07    -0.12  -0.01   0.10
    26   1    -0.44  -0.40   0.04     0.20   0.01  -0.07    -0.02  -0.05  -0.04
    27   1    -0.10   0.50  -0.22     0.20   0.15   0.06    -0.05  -0.13   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.0849               242.2429               268.9996
 Red. masses --      1.2364                 1.9348                 1.4194
 Frc consts  --      0.0350                 0.0669                 0.0605
 IR Inten    --      0.1062                 0.5001                 0.2434
 RamAct Fr= 1--      0.1808                 0.9622                 1.7964
  Dep-P Fr= 1--      0.3579                 0.3172                 0.2436
  Dep-U Fr= 1--      0.5271                 0.4816                 0.3918
 Alpha2 Fr= 1--      0.0015                 0.0094                 0.0217
 Beta2  Fr= 1--      0.0159                 0.0772                 0.1173
 AlphaG Fr= 1--      0.0032                -0.0032                 0.0316
 Gamma2 Fr= 1--      0.3936                -0.0063                 0.4682
 Delta2 Fr= 1--     -0.0639                 0.2082                -0.0184
 Raman1 Fr= 1--       0.723                  3.849                  7.186
 ROA1   Fr= 1--      35.739                  6.054                 44.361
 CID1   Fr= 1--      49.426                  1.573                  6.174
 Raman2 Fr= 1--       0.191                  0.927                  1.408
 ROA2   Fr= 1--       9.958                 -1.818                 11.384
 CID2   Fr= 1--      52.250                 -1.961                  8.087
 Raman3 Fr= 1--       0.381                  1.854                  2.815
 ROA3   Fr= 1--      35.739                  6.054                 44.361
 CID3   Fr= 1--      93.766                  3.266                 15.757
 RC180  Fr= 1--       0.054                 -0.037                 -0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.00   0.05    -0.06   0.03  -0.08     0.04  -0.01   0.01
     2   6    -0.02  -0.01   0.01     0.04  -0.00  -0.06     0.00  -0.01  -0.00
     3   6    -0.01   0.02   0.00     0.03   0.01  -0.05     0.00   0.03  -0.01
     4   6    -0.02   0.04  -0.03     0.02  -0.02  -0.01    -0.04   0.07  -0.07
     5   6    -0.00  -0.01  -0.02    -0.02   0.01   0.04    -0.04  -0.02  -0.03
     6   6     0.00  -0.00  -0.01    -0.04   0.01   0.04    -0.04  -0.00  -0.01
     7   8    -0.01   0.00   0.00    -0.02   0.00   0.01    -0.07  -0.00   0.02
     8   6    -0.06   0.00  -0.04     0.14  -0.06   0.08     0.03   0.01   0.01
     9   6    -0.02  -0.02   0.03     0.08  -0.01  -0.06     0.04  -0.04   0.02
    10   6     0.03  -0.01   0.01    -0.03   0.03   0.04     0.06  -0.00   0.03
    11   6     0.03  -0.01  -0.01    -0.12  -0.01   0.03    -0.02  -0.02   0.00
    12   1    -0.02  -0.04   0.08     0.08  -0.02  -0.20     0.05  -0.08   0.01
    13   1    -0.06  -0.03   0.01     0.21  -0.03   0.00     0.06  -0.04   0.02
    14   1     0.00   0.02   0.00     0.03   0.07  -0.07     0.04   0.05  -0.01
    15   1     0.05   0.02  -0.01    -0.08  -0.04   0.16     0.10   0.02   0.05
    16   1     0.06  -0.04   0.02    -0.10   0.18   0.03     0.07  -0.00   0.04
    17   1     0.06   0.44   0.33    -0.16   0.24   0.20     0.06   0.05   0.03
    18   1     0.52  -0.28   0.10     0.22  -0.10  -0.12     0.10  -0.06   0.03
    19   1    -0.27  -0.14  -0.21    -0.33  -0.02  -0.33     0.01  -0.03  -0.01
    20   1    -0.15   0.12  -0.17     0.19  -0.03   0.00     0.23  -0.31   0.39
    21   1    -0.11  -0.18  -0.07     0.01  -0.11   0.24     0.25   0.51  -0.02
    22   1     0.04   0.06   0.06     0.32  -0.07   0.16    -0.34  -0.13  -0.30
    23   1    -0.04   0.10  -0.06     0.06  -0.03  -0.00    -0.07   0.17  -0.12
    24   1     0.01  -0.06   0.01    -0.07   0.02   0.03    -0.03  -0.12   0.02
    25   1     0.03  -0.01  -0.01    -0.15   0.00   0.06    -0.03  -0.02   0.01
    26   1     0.05  -0.01  -0.02    -0.15   0.00   0.06    -0.01  -0.02  -0.02
    27   1     0.04  -0.01   0.02    -0.13  -0.04  -0.03    -0.02  -0.03   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    279.5889               332.3794               354.3342
 Red. masses --      1.9065                 2.3038                 2.2643
 Frc consts  --      0.0878                 0.1500                 0.1675
 IR Inten    --      0.5660                 0.0630                 0.1121
 RamAct Fr= 1--      3.2845                 0.8147                 1.7910
  Dep-P Fr= 1--      0.2109                 0.5815                 0.6841
  Dep-U Fr= 1--      0.3484                 0.7354                 0.8124
 Alpha2 Fr= 1--      0.0433                 0.0026                 0.0021
 Beta2  Fr= 1--      0.1907                 0.0998                 0.2425
 AlphaG Fr= 1--      0.0206                 0.0051                -0.0018
 Gamma2 Fr= 1--      0.5762                -1.0695                -1.3423
 Delta2 Fr= 1--      0.0245                -0.1302                -0.6761
 Raman1 Fr= 1--      13.138                  3.259                  7.164
 ROA1   Fr= 1--      56.100               -106.838               -150.497
 CID1   Fr= 1--       4.270                -32.786                -21.007
 Raman2 Fr= 1--       2.288                  1.198                  2.910
 ROA2   Fr= 1--      13.633                -24.626                -26.806
 CID2   Fr= 1--       5.958                -20.553                 -9.211
 Raman3 Fr= 1--       4.577                  2.396                  5.820
 ROA3   Fr= 1--      56.100               -106.838               -150.497
 CID3   Fr= 1--      12.258                -44.584                -25.858
 RC180  Fr= 1--      -0.303                  0.471                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03    -0.11  -0.06  -0.02     0.11  -0.14  -0.04
     2   6    -0.04  -0.00  -0.03    -0.03   0.01   0.08    -0.03   0.00   0.02
     3   6    -0.02  -0.01  -0.00    -0.05  -0.03   0.11    -0.05   0.01   0.02
     4   6     0.05  -0.03   0.09    -0.05  -0.01   0.09    -0.05   0.16  -0.01
     5   6     0.06   0.03   0.05    -0.01   0.00  -0.01     0.00   0.03   0.02
     6   6     0.08   0.01   0.01    -0.02  -0.02  -0.04     0.01   0.03  -0.03
     7   8     0.12   0.01  -0.04    -0.04  -0.02  -0.01     0.03  -0.02  -0.02
     8   6    -0.05  -0.05  -0.01    -0.00   0.14   0.02    -0.00  -0.08   0.11
     9   6    -0.08   0.01  -0.02     0.14   0.01  -0.07    -0.01   0.05  -0.06
    10   6    -0.10   0.02   0.00     0.03  -0.05  -0.05    -0.11   0.03  -0.01
    11   6     0.05   0.02   0.00     0.10   0.00  -0.04     0.06  -0.01  -0.00
    12   1    -0.08   0.05  -0.03     0.17  -0.11  -0.31    -0.01   0.05  -0.19
    13   1    -0.07  -0.02  -0.01     0.36   0.19  -0.03     0.10   0.09  -0.02
    14   1    -0.09  -0.00  -0.00    -0.08  -0.10   0.14    -0.06  -0.03   0.04
    15   1    -0.16  -0.03   0.03     0.10  -0.01  -0.04    -0.17  -0.04   0.08
    16   1    -0.12   0.08   0.01    -0.07  -0.13  -0.15    -0.19   0.14  -0.03
    17   1    -0.10   0.19   0.15    -0.22  -0.04   0.13     0.21  -0.19  -0.21
    18   1     0.18  -0.12  -0.05     0.04  -0.06  -0.18     0.13  -0.09  -0.14
    19   1    -0.26  -0.07  -0.19    -0.29  -0.15  -0.16     0.15  -0.31   0.12
    20   1     0.04  -0.30   0.33     0.10   0.14  -0.05    -0.03  -0.07   0.10
    21   1     0.13   0.32  -0.07     0.05   0.21  -0.01    -0.12  -0.16   0.24
    22   1    -0.34  -0.20  -0.30    -0.09   0.25   0.08     0.17  -0.15   0.13
    23   1     0.09  -0.10   0.12    -0.10  -0.03   0.09    -0.08   0.38  -0.10
    24   1     0.08   0.11   0.02     0.07   0.03  -0.01     0.09  -0.17   0.10
    25   1     0.05   0.02  -0.01     0.14  -0.01  -0.08     0.06  -0.01   0.03
    26   1     0.03   0.03   0.02     0.15  -0.01  -0.09     0.11  -0.04  -0.07
    27   1     0.05   0.03  -0.01     0.12   0.04   0.07     0.08  -0.02   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.0679               402.3419               446.9861
 Red. masses --      2.2837                 2.5137                 2.3439
 Frc consts  --      0.1853                 0.2397                 0.2759
 IR Inten    --      0.4749                 0.0742                 0.1198
 RamAct Fr= 1--      1.2838                 0.4470                 1.3386
  Dep-P Fr= 1--      0.1687                 0.6319                 0.5045
  Dep-U Fr= 1--      0.2887                 0.7744                 0.6706
 Alpha2 Fr= 1--      0.0189                 0.0010                 0.0065
 Beta2  Fr= 1--      0.0618                 0.0577                 0.1496
 AlphaG Fr= 1--     -0.0019                -0.0082                -0.0335
 Gamma2 Fr= 1--     -0.3116                 0.7180                 0.5340
 Delta2 Fr= 1--      0.1006                 0.1635                 0.5715
 Raman1 Fr= 1--       5.135                  1.788                  5.355
 ROA1   Fr= 1--     -26.696                 74.159                 69.550
 CID1   Fr= 1--      -5.199                 41.480                 12.989
 Raman2 Fr= 1--       0.741                  0.692                  1.795
 ROA2   Fr= 1--      -8.284                 15.924                  8.244
 CID2   Fr= 1--     -11.176                 23.002                  4.592
 Raman3 Fr= 1--       1.482                  1.385                  3.591
 ROA3   Fr= 1--     -26.696                 74.159                 69.550
 CID3   Fr= 1--     -18.009                 53.562                 19.369
 RC180  Fr= 1--      -0.423                  0.549                  0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04  -0.11     0.03   0.09   0.00    -0.04   0.06  -0.05
     2   6     0.04   0.09   0.02    -0.03  -0.04  -0.13     0.17   0.00   0.02
     3   6     0.02   0.08   0.04    -0.10   0.08   0.01     0.04  -0.10   0.09
     4   6    -0.00  -0.10   0.06    -0.06   0.04   0.15    -0.01   0.07   0.04
     5   6    -0.01  -0.03  -0.01    -0.02   0.02   0.07    -0.01   0.04   0.02
     6   6    -0.04  -0.06  -0.01    -0.05  -0.05  -0.03    -0.06   0.07  -0.06
     7   8    -0.09   0.01   0.02    -0.05  -0.02  -0.05    -0.06  -0.05   0.01
     8   6    -0.06  -0.11   0.05     0.12  -0.04   0.01     0.07  -0.08  -0.10
     9   6     0.02   0.11   0.04    -0.05  -0.10  -0.02    -0.01   0.07   0.06
    10   6     0.09   0.08  -0.03     0.02   0.00   0.01    -0.05  -0.05   0.02
    11   6     0.01   0.01  -0.03     0.11   0.01  -0.05     0.03  -0.02  -0.02
    12   1     0.01   0.14   0.16    -0.06  -0.10   0.11    -0.05   0.29   0.19
    13   1    -0.10   0.11  -0.01    -0.15  -0.22  -0.04    -0.16  -0.05   0.02
    14   1     0.01   0.10   0.04    -0.25   0.18  -0.01     0.02  -0.14   0.11
    15   1     0.20   0.20  -0.18     0.16   0.11  -0.02    -0.11  -0.06  -0.06
    16   1     0.16  -0.14  -0.06     0.07  -0.13   0.00    -0.04  -0.07   0.02
    17   1     0.03  -0.05  -0.10     0.09   0.17  -0.04    -0.23  -0.06   0.15
    18   1     0.18  -0.01  -0.29    -0.07   0.03   0.21    -0.08   0.14  -0.14
    19   1    -0.07  -0.23  -0.10     0.14   0.24   0.03    -0.13   0.18  -0.22
    20   1    -0.22  -0.15   0.24     0.28  -0.08  -0.05    -0.10  -0.04  -0.03
    21   1    -0.08  -0.15   0.06     0.00   0.01   0.21     0.13  -0.16  -0.24
    22   1     0.00  -0.31  -0.10     0.27  -0.04   0.08     0.01  -0.12  -0.18
    23   1    -0.01  -0.32   0.15    -0.04  -0.03   0.18    -0.07   0.35  -0.09
    24   1    -0.02   0.17  -0.10     0.10   0.11   0.04     0.10  -0.20   0.13
    25   1     0.06  -0.00  -0.12     0.22  -0.02  -0.16     0.03  -0.03   0.08
    26   1    -0.01   0.04  -0.00     0.19   0.01  -0.11     0.13  -0.11  -0.17
    27   1     0.01   0.07  -0.01     0.15   0.12   0.13     0.06  -0.07   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    539.0465               559.2387               589.2759
 Red. masses --      2.8331                 3.8330                 2.6934
 Frc consts  --      0.4850                 0.7063                 0.5511
 IR Inten    --      8.7695                 7.8933                 2.1714
 RamAct Fr= 1--      2.9451                 0.6863                 2.0475
  Dep-P Fr= 1--      0.1306                 0.6880                 0.1314
  Dep-U Fr= 1--      0.2311                 0.8151                 0.2323
 Alpha2 Fr= 1--      0.0478                 0.0007                 0.0332
 Beta2  Fr= 1--      0.1134                 0.0932                 0.0793
 AlphaG Fr= 1--     -0.0173                -0.0049                -0.1336
 Gamma2 Fr= 1--      0.1296                -0.2790                -0.1260
 Delta2 Fr= 1--     -0.0605                 0.0128                 0.0593
 Raman1 Fr= 1--      11.780                  2.745                  8.190
 ROA1   Fr= 1--      10.504                -26.373                -10.195
 CID1   Fr= 1--       0.892                 -9.607                 -1.245
 Raman2 Fr= 1--       1.361                  1.119                  0.951
 ROA2   Fr= 1--       3.594                 -6.798                 -3.498
 CID2   Fr= 1--       2.640                 -6.075                 -3.677
 Raman3 Fr= 1--       2.722                  2.238                  1.902
 ROA3   Fr= 1--      10.504                -26.373                -10.195
 CID3   Fr= 1--       3.859                -11.785                 -5.359
 RC180  Fr= 1--      -0.538                  0.630                 -0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.04   0.08  -0.08     0.02   0.04  -0.04
     2   6    -0.01  -0.01  -0.04     0.02   0.06  -0.02    -0.08   0.04  -0.04
     3   6    -0.08   0.03   0.12    -0.11  -0.01   0.08     0.03  -0.02  -0.06
     4   6    -0.07   0.00   0.06    -0.17  -0.10  -0.08     0.08  -0.11   0.05
     5   6     0.09  -0.06  -0.15    -0.14  -0.08  -0.08     0.04  -0.06   0.07
     6   6     0.17   0.06  -0.06    -0.00   0.12   0.05    -0.06   0.24  -0.12
     7   8     0.01   0.07   0.18     0.21  -0.04  -0.12    -0.03  -0.08   0.05
     8   6     0.04  -0.02  -0.01     0.01  -0.01   0.01    -0.08   0.05   0.06
     9   6    -0.01  -0.02  -0.02     0.04   0.00   0.04     0.00  -0.04   0.01
    10   6    -0.02  -0.01  -0.00     0.03  -0.06   0.04     0.04   0.01   0.01
    11   6    -0.05  -0.04  -0.07     0.02   0.08   0.17    -0.01   0.01  -0.04
    12   1    -0.02   0.01   0.02     0.04   0.02   0.03     0.02  -0.15  -0.04
    13   1    -0.06  -0.06  -0.03     0.04  -0.05   0.05     0.06  -0.02   0.03
    14   1    -0.17   0.06   0.11    -0.04   0.04   0.06     0.02   0.00  -0.06
    15   1     0.10   0.09  -0.07     0.21   0.13  -0.12     0.02  -0.00   0.02
    16   1    -0.04  -0.20  -0.07     0.07  -0.35  -0.02     0.06   0.04   0.04
    17   1    -0.00   0.03  -0.01     0.02   0.05  -0.07     0.12   0.12  -0.14
    18   1    -0.01   0.01   0.01     0.04   0.10  -0.13     0.06  -0.01   0.00
    19   1     0.01   0.06  -0.04     0.02   0.07  -0.09     0.06  -0.03   0.04
    20   1     0.10  -0.05  -0.02    -0.02  -0.03   0.07    -0.05   0.02   0.07
    21   1    -0.01   0.01   0.08    -0.05  -0.02   0.09    -0.12   0.07   0.13
    22   1     0.10  -0.04   0.01     0.09  -0.09  -0.02    -0.03   0.01   0.05
    23   1    -0.31   0.02   0.02    -0.34  -0.04  -0.12     0.15  -0.01   0.02
    24   1     0.19  -0.10  -0.12    -0.33  -0.21  -0.03     0.11  -0.22   0.14
    25   1    -0.29   0.01   0.19     0.00   0.08   0.30    -0.08  -0.00   0.44
    26   1    -0.25  -0.06   0.07     0.08  -0.02   0.05     0.17  -0.33  -0.42
    27   1    -0.12  -0.29  -0.49     0.04   0.02   0.26     0.05  -0.26   0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.2279               730.0886               803.3491
 Red. masses --      3.1721                 1.4722                 3.3678
 Frc consts  --      0.7423                 0.4624                 1.2806
 IR Inten    --      3.0810                 6.1136                 2.7011
 RamAct Fr= 1--      7.4998                 4.9718                14.2881
  Dep-P Fr= 1--      0.0562                 0.1174                 0.7155
  Dep-U Fr= 1--      0.1065                 0.2101                 0.8342
 Alpha2 Fr= 1--      0.1460                 0.0834                 0.0085
 Beta2  Fr= 1--      0.1331                 0.1741                 1.9864
 AlphaG Fr= 1--      0.2361                 0.1912                 0.0716
 Gamma2 Fr= 1--     -0.5202                 1.2637                 2.9800
 Delta2 Fr= 1--     -0.2053                 0.3751                -1.5662
 Raman1 Fr= 1--      29.999                 19.887                 57.153
 ROA1   Fr= 1--     -56.511                133.321                235.966
 CID1   Fr= 1--      -1.884                  6.704                  4.129
 Raman2 Fr= 1--       1.598                  2.089                 23.837
 ROA2   Fr= 1--     -10.843                 27.328                 84.051
 CID2   Fr= 1--      -6.787                 13.079                  3.526
 Raman3 Fr= 1--       3.195                  4.179                 47.674
 ROA3   Fr= 1--     -56.511                133.321                235.966
 CID3   Fr= 1--     -17.687                 31.903                  4.950
 RC180  Fr= 1--      -0.787                 -0.580                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.17   0.17     0.02   0.04  -0.04    -0.02   0.00  -0.03
     2   6     0.03  -0.10   0.03     0.01   0.01   0.01    -0.07  -0.02  -0.05
     3   6     0.01   0.14   0.03     0.04  -0.05   0.07     0.09  -0.01   0.10
     4   6    -0.02  -0.06   0.00    -0.02  -0.01   0.01     0.09   0.01   0.04
     5   6    -0.02  -0.07  -0.01    -0.00   0.01  -0.03     0.18   0.00  -0.16
     6   6    -0.03   0.10  -0.03    -0.00  -0.01   0.00    -0.05  -0.06  -0.09
     7   8     0.03  -0.04  -0.02    -0.00  -0.00  -0.01    -0.10  -0.05  -0.07
     8   6     0.10  -0.06  -0.08    -0.04   0.03   0.04    -0.01  -0.01  -0.01
     9   6    -0.03   0.06  -0.10     0.01  -0.08  -0.08    -0.04   0.00   0.01
    10   6     0.03   0.19  -0.06     0.06   0.05  -0.05    -0.04   0.03  -0.01
    11   6    -0.00   0.04   0.04    -0.00   0.01   0.03    -0.04   0.09   0.26
    12   1    -0.05   0.11   0.13     0.00  -0.14   0.42    -0.03  -0.02  -0.19
    13   1    -0.22   0.08  -0.18    -0.41  -0.06  -0.26     0.14  -0.04   0.09
    14   1     0.01   0.21   0.01     0.04  -0.18   0.12     0.04  -0.02   0.11
    15   1     0.10   0.20   0.06    -0.04  -0.16   0.39    -0.06   0.08  -0.22
    16   1    -0.05   0.19  -0.12    -0.23   0.41  -0.15     0.07  -0.14   0.02
    17   1    -0.14  -0.20   0.24    -0.01  -0.00  -0.02     0.09   0.13  -0.09
    18   1    -0.11  -0.17   0.20     0.02   0.07  -0.10    -0.01  -0.09   0.13
    19   1    -0.09  -0.10   0.11    -0.00   0.04  -0.06     0.06   0.03   0.03
    20   1     0.18  -0.04  -0.18    -0.04   0.02   0.05     0.10  -0.04  -0.05
    21   1     0.18  -0.03  -0.17    -0.05   0.04   0.06    -0.06   0.06   0.09
    22   1    -0.00   0.07  -0.02    -0.03   0.03   0.05     0.03   0.01   0.02
    23   1    -0.10  -0.14   0.03    -0.10   0.03  -0.01    -0.08   0.11  -0.03
    24   1    -0.07  -0.06  -0.02     0.01  -0.04  -0.01     0.44  -0.09  -0.11
    25   1    -0.03   0.03   0.26     0.00   0.01  -0.01    -0.05   0.10   0.20
    26   1     0.07  -0.12  -0.13    -0.01   0.04   0.06    -0.07   0.14   0.32
    27   1     0.02  -0.08   0.13    -0.01   0.03   0.02    -0.04   0.16   0.30
                     22                     23                     24
                      A                      A                      A
 Frequencies --    843.1803               869.8129               893.1449
 Red. masses --      2.3417                 2.0686                 1.8118
 Frc consts  --      0.9809                 0.9221                 0.8515
 IR Inten    --      2.4536                 0.1970                 0.1808
 RamAct Fr= 1--     11.8368                 9.0253                 6.6731
  Dep-P Fr= 1--      0.3605                 0.6212                 0.1105
  Dep-U Fr= 1--      0.5300                 0.7663                 0.1989
 Alpha2 Fr= 1--      0.1004                 0.0213                 0.1139
 Beta2  Fr= 1--      1.0455                 1.1527                 0.2213
 AlphaG Fr= 1--      0.7792                 0.0795                -0.1226
 Gamma2 Fr= 1--      4.3087                 0.6453                -2.2761
 Delta2 Fr= 1--      0.3955                -0.4019                -1.1319
 Raman1 Fr= 1--      47.347                 36.101                 26.692
 ROA1   Fr= 1--     426.290                 49.093               -254.725
 CID1   Fr= 1--       9.003                  1.360                 -9.543
 Raman2 Fr= 1--      12.546                 13.832                  2.655
 ROA2   Fr= 1--     100.244                 18.704                -45.570
 CID2   Fr= 1--       7.990                  1.352                -17.163
 Raman3 Fr= 1--      25.093                 27.665                  5.310
 ROA3   Fr= 1--     426.290                 49.093               -254.725
 CID3   Fr= 1--      16.989                  1.775                -47.967
 RC180  Fr= 1--       0.060                  0.533                 -0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.02    -0.05  -0.02  -0.01     0.02   0.02   0.01
     2   6    -0.11  -0.01  -0.08    -0.10   0.02  -0.05     0.02   0.05   0.06
     3   6     0.08  -0.10   0.11    -0.02  -0.05  -0.04    -0.03  -0.07  -0.07
     4   6     0.01  -0.11   0.00    -0.06   0.05   0.03    -0.07  -0.00   0.07
     5   6    -0.08   0.11  -0.00     0.00  -0.06   0.00    -0.02  -0.00  -0.02
     6   6     0.00   0.00   0.06     0.01  -0.00  -0.02     0.02  -0.01  -0.02
     7   8     0.03   0.02   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     8   6    -0.00  -0.02  -0.05     0.04  -0.04  -0.08     0.08  -0.01  -0.01
     9   6    -0.01   0.05   0.02     0.09   0.14   0.13    -0.09  -0.07   0.04
    10   6     0.03   0.14   0.01     0.07  -0.07  -0.03     0.06   0.12  -0.05
    11   6     0.01  -0.07  -0.07     0.01   0.03   0.02     0.02   0.01   0.03
    12   1     0.01  -0.03  -0.07     0.10   0.05   0.21    -0.03  -0.38  -0.29
    13   1     0.09   0.04   0.07    -0.02   0.35   0.04     0.29   0.05   0.17
    14   1     0.13  -0.18   0.13    -0.11  -0.18   0.00    -0.15  -0.31   0.00
    15   1     0.03   0.18  -0.13    -0.20  -0.32   0.20    -0.07   0.03  -0.03
    16   1     0.11  -0.00   0.01    -0.07   0.35   0.00     0.28   0.32   0.18
    17   1     0.12   0.18  -0.13     0.13   0.20  -0.14    -0.04  -0.08   0.03
    18   1    -0.02  -0.16   0.21    -0.01  -0.17   0.21     0.02   0.09  -0.12
    19   1     0.06   0.00   0.08     0.06  -0.04   0.13    -0.03  -0.04  -0.00
    20   1     0.18  -0.09  -0.09     0.15  -0.10  -0.06    -0.19   0.07   0.07
    21   1    -0.08   0.09   0.13    -0.04   0.02   0.08     0.13  -0.18  -0.20
    22   1     0.09  -0.02  -0.00     0.16  -0.09  -0.08     0.00  -0.09  -0.13
    23   1    -0.07   0.32  -0.18    -0.05  -0.17   0.12    -0.10   0.03   0.05
    24   1    -0.13  -0.42   0.22     0.02   0.18  -0.10     0.07  -0.04  -0.00
    25   1     0.07  -0.07  -0.31    -0.05   0.03   0.13    -0.06   0.03   0.06
    26   1     0.02   0.07   0.02    -0.02  -0.03  -0.00    -0.06   0.03   0.10
    27   1    -0.00   0.07  -0.08     0.00  -0.05  -0.03    -0.00  -0.03  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    905.8905               946.6624               956.6373
 Red. masses --      2.0860                 2.2203                 1.5327
 Frc consts  --      1.0086                 1.1723                 0.8264
 IR Inten    --      6.0651                 1.6034                 0.4220
 RamAct Fr= 1--     23.2082                13.2503                 4.2998
  Dep-P Fr= 1--      0.2693                 0.7489                 0.4693
  Dep-U Fr= 1--      0.4244                 0.8564                 0.6388
 Alpha2 Fr= 1--      0.2604                 0.0003                 0.0243
 Beta2  Fr= 1--      1.6415                 1.8913                 0.4578
 AlphaG Fr= 1--     -0.7284                 0.0002                -0.0314
 Gamma2 Fr= 1--     -3.2745                 2.3046                 0.4829
 Delta2 Fr= 1--      0.6280                 1.5068                -0.2904
 Raman1 Fr= 1--      92.833                 53.001                 17.199
 ROA1   Fr= 1--    -294.258                269.459                 37.063
 CID1   Fr= 1--      -3.170                  5.084                  2.155
 Raman2 Fr= 1--      19.698                 22.695                  5.493
 ROA2   Fr= 1--     -83.612                 43.256                 13.912
 CID2   Fr= 1--      -4.245                  1.906                  2.533
 Raman3 Fr= 1--      39.396                 45.390                 10.986
 ROA3   Fr= 1--    -294.258                269.459                 37.063
 CID3   Fr= 1--      -7.469                  5.936                  3.374
 RC180  Fr= 1--      -0.151                  0.713                  0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.05     0.03  -0.01  -0.02    -0.03   0.11  -0.01
     2   6    -0.04  -0.02   0.02     0.01  -0.07  -0.04    -0.06  -0.00   0.07
     3   6     0.10  -0.01   0.15    -0.01  -0.13  -0.01    -0.01   0.01   0.01
     4   6    -0.00   0.12  -0.09    -0.03   0.05  -0.00     0.01  -0.01  -0.01
     5   6     0.01  -0.11   0.06    -0.00  -0.04   0.02     0.01   0.01  -0.00
     6   6    -0.02   0.01   0.04     0.01  -0.01  -0.01    -0.00   0.00  -0.00
     7   8     0.02   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.01  -0.03  -0.02    -0.07   0.00   0.03     0.06  -0.10  -0.01
     9   6    -0.05  -0.06   0.02    -0.08   0.10  -0.13    -0.05   0.02  -0.05
    10   6    -0.05   0.07  -0.05     0.12   0.02   0.14     0.02  -0.04   0.05
    11   6    -0.02   0.01  -0.06     0.02   0.02   0.01    -0.00  -0.00   0.00
    12   1    -0.02  -0.19  -0.14    -0.14   0.45  -0.27    -0.05   0.00  -0.05
    13   1     0.13  -0.08   0.10    -0.02  -0.02  -0.08    -0.05   0.15  -0.08
    14   1     0.20  -0.19   0.20    -0.03  -0.21   0.02     0.05   0.06  -0.00
    15   1    -0.13   0.06  -0.23     0.22   0.07   0.18     0.12  -0.01   0.14
    16   1     0.02  -0.04  -0.04     0.34   0.07   0.32    -0.03  -0.05   0.01
    17   1     0.04   0.08  -0.07    -0.07  -0.04   0.10     0.18   0.09  -0.33
    18   1     0.02   0.02  -0.01    -0.06   0.01   0.02     0.23   0.12  -0.28
    19   1     0.03   0.05  -0.03     0.02   0.15  -0.15    -0.07  -0.36   0.25
    20   1     0.10  -0.04  -0.07     0.10  -0.02  -0.06     0.19  -0.00  -0.27
    21   1     0.01   0.03   0.01    -0.09   0.11   0.11     0.26  -0.01  -0.27
    22   1     0.01   0.03   0.03    -0.08   0.11   0.13    -0.23   0.21   0.15
    23   1    -0.01  -0.32   0.10     0.01  -0.07   0.06     0.03  -0.01  -0.00
    24   1    -0.24   0.51  -0.22    -0.00   0.21  -0.09     0.03  -0.07   0.03
    25   1     0.05  -0.02   0.07    -0.05   0.03   0.10     0.01  -0.01  -0.02
    26   1     0.09  -0.13  -0.25    -0.03  -0.02   0.01     0.01   0.01   0.00
    27   1     0.02  -0.05   0.10     0.01  -0.05  -0.06    -0.00   0.01   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    975.8792               986.2528              1015.0798
 Red. masses --      1.8440                 1.6079                 1.5076
 Frc consts  --      1.0347                 0.9215                 0.9152
 IR Inten    --      6.2109                 7.4693                15.8205
 RamAct Fr= 1--      8.3377                25.5465                22.9922
  Dep-P Fr= 1--      0.5096                 0.1463                 0.3643
  Dep-U Fr= 1--      0.6751                 0.2553                 0.5341
 Alpha2 Fr= 1--      0.0394                 0.3986                 0.1926
 Beta2  Fr= 1--      0.9381                 1.0868                 2.0466
 AlphaG Fr= 1--      0.0270                 0.0052                -0.0916
 Gamma2 Fr= 1--     -3.6588                 1.5251                -1.9252
 Delta2 Fr= 1--     -3.9723                 0.5671                -0.7704
 Raman1 Fr= 1--      33.351                102.186                 91.969
 ROA1   Fr= 1--    -478.360                164.561               -209.469
 CID1   Fr= 1--     -14.343                  1.610                 -2.278
 Raman2 Fr= 1--      11.258                 13.042                 24.559
 ROA2   Fr= 1--     -56.034                 32.066                -40.041
 CID2   Fr= 1--      -4.977                  2.459                 -1.630
 Raman3 Fr= 1--      22.515                 26.084                 49.117
 ROA3   Fr= 1--    -478.360                164.561               -209.469
 CID3   Fr= 1--     -21.246                  6.309                 -4.265
 RC180  Fr= 1--       0.350                 -0.489                  0.068
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.11    -0.00  -0.03  -0.04     0.03   0.01   0.04
     2   6    -0.04   0.14  -0.01    -0.02   0.01   0.02     0.01  -0.00  -0.01
     3   6    -0.06  -0.08   0.02     0.02   0.05   0.06    -0.03   0.01  -0.04
     4   6     0.05   0.02  -0.05     0.02  -0.01  -0.01    -0.01   0.00   0.03
     5   6     0.03  -0.01   0.02     0.03   0.00  -0.03     0.07  -0.01  -0.08
     6   6     0.00  -0.01  -0.01    -0.02   0.01   0.03    -0.01   0.02   0.04
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.02     0.04   0.03   0.04
     8   6     0.04   0.04  -0.11     0.06   0.05  -0.01    -0.04  -0.02  -0.01
     9   6    -0.00  -0.03  -0.06    -0.12   0.01  -0.05     0.02   0.01   0.03
    10   6    -0.00   0.01   0.07     0.05  -0.10   0.03     0.02   0.00  -0.02
    11   6    -0.01   0.01   0.01    -0.05  -0.02  -0.02    -0.12  -0.03  -0.02
    12   1    -0.00  -0.06   0.07    -0.09  -0.17  -0.25     0.00   0.11  -0.00
    13   1    -0.09  -0.11  -0.08     0.03   0.44  -0.09     0.04  -0.13   0.07
    14   1     0.06  -0.18   0.05     0.03   0.16   0.03    -0.19  -0.08  -0.00
    15   1     0.21   0.14   0.11     0.11  -0.14   0.27    -0.13  -0.09  -0.06
    16   1    -0.05  -0.19  -0.02    -0.06   0.02  -0.01     0.14   0.16   0.12
    17   1    -0.06  -0.19   0.03     0.01   0.11   0.02    -0.08  -0.16   0.08
    18   1     0.08   0.11  -0.21    -0.08  -0.10   0.18     0.03   0.13  -0.17
    19   1    -0.16  -0.31   0.17     0.09   0.17  -0.07    -0.08  -0.06  -0.03
    20   1     0.03  -0.10   0.12    -0.28   0.07   0.22     0.17  -0.07  -0.11
    21   1    -0.20   0.02   0.24     0.01  -0.18  -0.07    -0.06   0.11   0.10
    22   1     0.41  -0.28  -0.24     0.12  -0.21  -0.22     0.00   0.07   0.09
    23   1     0.18  -0.01  -0.03    -0.07  -0.03  -0.01    -0.12  -0.10   0.06
    24   1     0.04   0.11  -0.03    -0.02  -0.08   0.00     0.09  -0.15  -0.02
    25   1     0.01  -0.00   0.02     0.12  -0.06  -0.14     0.24  -0.12  -0.25
    26   1     0.01  -0.01  -0.02     0.11  -0.01  -0.14     0.22  -0.02  -0.29
    27   1    -0.00   0.01   0.05    -0.01   0.10   0.22    -0.02   0.21   0.49
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1023.2936              1036.8441              1048.1019
 Red. masses --      1.1644                 1.6630                 1.6073
 Frc consts  --      0.7184                 1.0533                 1.0403
 IR Inten    --     29.7306                 3.2904                 6.8977
 RamAct Fr= 1--      1.2149                 6.6396                38.5204
  Dep-P Fr= 1--      0.6476                 0.4651                 0.2050
  Dep-U Fr= 1--      0.7861                 0.6349                 0.3402
 Alpha2 Fr= 1--      0.0022                 0.0382                 0.5162
 Beta2  Fr= 1--      0.1592                 0.7026                 2.1844
 AlphaG Fr= 1--     -0.1408                 0.2753                -0.1170
 Gamma2 Fr= 1--     -0.1467                 3.5105                -3.0258
 Delta2 Fr= 1--     -0.0188                 0.2846                 2.6847
 Raman1 Fr= 1--       4.859                 26.558                154.081
 ROA1   Fr= 1--     -14.682                346.120               -204.564
 CID1   Fr= 1--      -3.021                 13.032                 -1.328
 Raman2 Fr= 1--       1.910                  8.432                 26.213
 ROA2   Fr= 1--      -3.370                 81.976                -94.097
 CID2   Fr= 1--      -1.764                  9.723                 -3.590
 Raman3 Fr= 1--       3.820                 16.863                 52.426
 ROA3   Fr= 1--     -14.682                346.120               -204.564
 CID3   Fr= 1--      -3.843                 20.525                 -3.902
 RC180  Fr= 1--       0.572                  0.270                 -0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00     0.06   0.03   0.04     0.09   0.01  -0.05
     2   6     0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.04  -0.05   0.06
     3   6    -0.03  -0.00  -0.02     0.07   0.11   0.03    -0.12  -0.03  -0.01
     4   6     0.01  -0.07   0.03     0.00  -0.06   0.03     0.06  -0.01  -0.05
     5   6     0.03  -0.05   0.01    -0.04  -0.00   0.02     0.03   0.01   0.02
     6   6    -0.01   0.03  -0.01    -0.01   0.03  -0.01     0.00   0.01  -0.02
     7   8     0.01  -0.00   0.01    -0.01  -0.01  -0.01    -0.01  -0.01   0.00
     8   6     0.01  -0.00   0.02    -0.05  -0.02  -0.07    -0.02  -0.05  -0.03
     9   6     0.02   0.00   0.00    -0.07  -0.00   0.01    -0.01   0.03   0.07
    10   6    -0.00   0.01   0.01     0.03  -0.09  -0.04    -0.01   0.06   0.01
    11   6    -0.02  -0.02   0.01     0.05  -0.01   0.01    -0.01  -0.01   0.01
    12   1     0.02   0.01   0.04    -0.06  -0.04  -0.18     0.05  -0.32   0.07
    13   1    -0.02  -0.01  -0.01     0.07   0.12   0.03     0.05   0.43   0.01
    14   1    -0.06  -0.07  -0.00     0.11   0.11   0.03    -0.03  -0.04  -0.01
    15   1     0.06   0.05   0.03    -0.21  -0.27  -0.02     0.22   0.18   0.14
    16   1    -0.01  -0.01  -0.01     0.10   0.17   0.10    -0.24  -0.10  -0.21
    17   1     0.05   0.05  -0.05    -0.13  -0.23   0.15    -0.14  -0.11   0.21
    18   1     0.01  -0.04   0.05     0.02   0.21  -0.25    -0.11   0.11  -0.04
    19   1     0.02  -0.01   0.03    -0.10  -0.02  -0.10     0.03   0.29  -0.29
    20   1    -0.05   0.04   0.01     0.27  -0.16  -0.09     0.21  -0.09  -0.14
    21   1     0.06  -0.04  -0.07    -0.19   0.18   0.26    -0.01   0.08   0.05
    22   1    -0.06   0.02   0.00     0.18  -0.02   0.04    -0.02   0.08   0.10
    23   1    -0.11   0.62  -0.27    -0.13   0.23  -0.10     0.22  -0.01  -0.04
    24   1    -0.08   0.58  -0.27    -0.12   0.11  -0.03     0.07   0.01   0.02
    25   1     0.05  -0.04  -0.13    -0.08   0.03  -0.01     0.01  -0.01  -0.05
    26   1     0.04   0.04   0.00    -0.09   0.05   0.16    -0.00   0.04   0.05
    27   1    -0.01   0.09   0.09     0.00  -0.04  -0.21    -0.01   0.04   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1051.0773              1155.3002              1195.1245
 Red. masses --      1.8581                 1.6878                 1.9370
 Frc consts  --      1.2095                 1.3273                 1.6301
 IR Inten    --      0.5821                12.3866                 3.0523
 RamAct Fr= 1--      2.7511                58.6564                12.6183
  Dep-P Fr= 1--      0.6093                 0.3804                 0.4406
  Dep-U Fr= 1--      0.7572                 0.5512                 0.6117
 Alpha2 Fr= 1--      0.0071                 0.4653                 0.0803
 Beta2  Fr= 1--      0.3472                 5.3881                 1.2864
 AlphaG Fr= 1--     -0.0313                 0.1316                -0.1043
 Gamma2 Fr= 1--     -0.4807                -2.6209                 0.6944
 Delta2 Fr= 1--     -0.1229                -0.9287                 1.2815
 Raman1 Fr= 1--      11.004                234.626                 50.473
 ROA1   Fr= 1--     -50.084               -281.320                107.673
 CID1   Fr= 1--      -4.551                 -1.199                  2.133
 Raman2 Fr= 1--       4.166                 64.657                 15.436
 ROA2   Fr= 1--     -10.555                -55.471                  6.414
 CID2   Fr= 1--      -2.533                 -0.858                  0.416
 Raman3 Fr= 1--       8.332                129.314                 30.873
 ROA3   Fr= 1--     -50.084               -281.320                107.673
 CID3   Fr= 1--      -6.011                 -2.175                  3.488
 RC180  Fr= 1--       0.514                  0.102                  0.223
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.04   0.01   0.06    -0.04  -0.01  -0.04
     2   6     0.01   0.00  -0.01    -0.05  -0.02  -0.11     0.09   0.03   0.10
     3   6     0.01  -0.01   0.00     0.10  -0.12  -0.01     0.09  -0.02  -0.10
     4   6    -0.02   0.05  -0.02    -0.06   0.03   0.04    -0.13   0.01   0.08
     5   6     0.01  -0.07   0.03    -0.01  -0.02  -0.01    -0.05  -0.01  -0.01
     6   6    -0.04   0.19  -0.08     0.00  -0.01   0.00     0.04  -0.01  -0.03
     7   8     0.01  -0.03   0.02     0.01   0.01   0.01     0.03   0.01   0.02
     8   6     0.00   0.01   0.01     0.01   0.01   0.03    -0.05  -0.01  -0.06
     9   6     0.01  -0.00  -0.01     0.00   0.06  -0.01    -0.01  -0.03  -0.02
    10   6    -0.00   0.00   0.00     0.01   0.02   0.06    -0.07   0.00   0.00
    11   6     0.03  -0.14   0.06    -0.01   0.00  -0.00    -0.03  -0.00   0.01
    12   1    -0.00   0.04   0.01     0.07  -0.41   0.13     0.01  -0.13   0.04
    13   1    -0.01  -0.06  -0.00    -0.03   0.15  -0.05    -0.03   0.18  -0.07
    14   1     0.00   0.01  -0.01     0.02   0.60  -0.25     0.59   0.05  -0.14
    15   1    -0.02   0.00  -0.02    -0.13  -0.00  -0.19     0.22   0.18   0.07
    16   1     0.02  -0.01   0.01    -0.12  -0.14  -0.10     0.02  -0.10   0.03
    17   1     0.02   0.03  -0.02    -0.09  -0.22   0.09     0.07   0.16  -0.07
    18   1     0.01  -0.02   0.02     0.01   0.15  -0.18     0.01  -0.12   0.12
    19   1     0.00  -0.02   0.03    -0.12  -0.09  -0.04     0.10   0.05   0.06
    20   1    -0.04   0.02   0.02    -0.11   0.07   0.01     0.19  -0.13  -0.04
    21   1     0.01  -0.02  -0.02     0.05  -0.05  -0.07    -0.13   0.16   0.17
    22   1    -0.01  -0.01  -0.01    -0.10   0.01  -0.02     0.15   0.02   0.07
    23   1     0.04  -0.31   0.14    -0.11   0.03   0.04    -0.00   0.04   0.08
    24   1     0.00  -0.01   0.00     0.04   0.09  -0.05     0.35   0.07  -0.01
    25   1     0.02  -0.09  -0.58     0.01  -0.00  -0.00     0.06  -0.03  -0.02
    26   1    -0.07   0.35   0.47     0.01  -0.01  -0.03     0.05   0.02  -0.04
    27   1    -0.05   0.29  -0.12     0.00   0.00   0.03    -0.01   0.06   0.14
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1204.7934              1227.6541              1242.1751
 Red. masses --      1.6792                 1.4227                 1.8297
 Frc consts  --      1.4361                 1.2633                 1.6634
 IR Inten    --      5.4146                 2.7977                 5.1363
 RamAct Fr= 1--     17.2826                35.9886                14.6376
  Dep-P Fr= 1--      0.2960                 0.4575                 0.3340
  Dep-U Fr= 1--      0.4568                 0.6277                 0.5007
 Alpha2 Fr= 1--      0.1794                 0.2140                 0.1353
 Beta2  Fr= 1--      1.3157                 3.7653                 1.2215
 AlphaG Fr= 1--      0.2613                 0.1059                 0.1015
 Gamma2 Fr= 1--      3.7509                 1.2369                 1.7161
 Delta2 Fr= 1--     -0.3856                 1.0832                 0.7234
 Raman1 Fr= 1--      69.131                143.954                 58.551
 ROA1   Fr= 1--     347.749                153.407                187.897
 CID1   Fr= 1--       5.030                  1.066                  3.209
 Raman2 Fr= 1--      15.789                 45.183                 14.658
 ROA2   Fr= 1--      93.106                 21.021                 35.400
 CID2   Fr= 1--       5.897                  0.465                  2.415
 Raman3 Fr= 1--      31.578                 90.366                 29.316
 ROA3   Fr= 1--     347.749                153.407                187.897
 CID3   Fr= 1--      11.012                  1.698                  6.409
 RC180  Fr= 1--      -0.086                  0.255                  0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.01     0.04   0.02   0.04    -0.00  -0.06   0.02
     2   6     0.15  -0.06   0.00    -0.08  -0.03  -0.08     0.05   0.18  -0.08
     3   6    -0.00  -0.08   0.03     0.04   0.01  -0.01     0.04   0.00   0.00
     4   6     0.03   0.02  -0.02    -0.05  -0.00   0.02     0.01   0.02   0.01
     5   6     0.01  -0.01  -0.00    -0.02  -0.00   0.00     0.02  -0.00  -0.01
     6   6    -0.00  -0.00   0.01     0.01  -0.00  -0.01    -0.03   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01    -0.00  -0.00  -0.01
     8   6    -0.06   0.03  -0.03     0.03   0.02   0.03    -0.03  -0.07   0.03
     9   6    -0.05  -0.02   0.07    -0.01  -0.04   0.09    -0.06   0.08   0.01
    10   6     0.02   0.03  -0.07     0.01  -0.00  -0.06    -0.02  -0.07  -0.04
    11   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.02   0.00  -0.01
    12   1    -0.06   0.10  -0.18    -0.08   0.51  -0.22     0.01  -0.40  -0.05
    13   1     0.15   0.09   0.13     0.10  -0.06   0.14     0.10  -0.39   0.18
    14   1    -0.40   0.46  -0.14     0.33  -0.11   0.02    -0.03  -0.10   0.04
    15   1     0.20   0.07   0.25     0.31   0.09   0.31     0.33   0.04   0.38
    16   1    -0.13   0.09  -0.17    -0.26   0.00  -0.26    -0.09  -0.02  -0.07
    17   1     0.11   0.08  -0.20    -0.05  -0.14   0.05    -0.07  -0.04   0.14
    18   1     0.14  -0.05  -0.04    -0.01   0.12  -0.12    -0.10  -0.09   0.16
    19   1     0.00  -0.16   0.19    -0.10  -0.06  -0.06     0.02   0.01   0.00
    20   1     0.04  -0.07   0.07    -0.12   0.07   0.04     0.11   0.02  -0.21
    21   1    -0.18   0.11   0.21     0.04  -0.08  -0.07     0.13   0.12  -0.09
    22   1     0.10   0.00   0.03    -0.07  -0.03  -0.06    -0.15   0.15   0.17
    23   1    -0.06   0.00  -0.02     0.07   0.01   0.02    -0.13  -0.03   0.02
    24   1    -0.19   0.00  -0.02     0.20   0.04   0.00    -0.14  -0.03  -0.02
    25   1    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.03   0.01  -0.01
    26   1    -0.01  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.02   0.00
    27   1     0.00  -0.01  -0.02    -0.00   0.01   0.02     0.00  -0.03  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.8670              1271.0663              1280.9407
 Red. masses --      1.5291                 1.6941                 1.8649
 Frc consts  --      1.4119                 1.6126                 1.8028
 IR Inten    --     16.9308                93.1773                38.4718
 RamAct Fr= 1--     19.9081                50.1471                 3.9141
  Dep-P Fr= 1--      0.3936                 0.2674                 0.3698
  Dep-U Fr= 1--      0.5649                 0.4220                 0.5399
 Alpha2 Fr= 1--      0.1508                 0.5658                 0.0322
 Beta2  Fr= 1--      1.8743                 3.5269                 0.3522
 AlphaG Fr= 1--     -0.0116                 0.0010                -0.0470
 Gamma2 Fr= 1--      1.3751                 0.9364                -0.4015
 Delta2 Fr= 1--     -0.2164                 0.3916                 0.0988
 Raman1 Fr= 1--      79.632                200.588                 15.656
 ROA1   Fr= 1--     125.082                102.426                -35.379
 CID1   Fr= 1--       1.571                  0.511                 -2.260
 Raman2 Fr= 1--      22.492                 42.323                  4.226
 ROA2   Fr= 1--      34.733                 19.340                -10.426
 CID2   Fr= 1--       1.544                  0.457                 -2.467
 Raman3 Fr= 1--      44.984                 84.646                  8.453
 ROA3   Fr= 1--     125.082                102.426                -35.379
 CID3   Fr= 1--       2.781                  1.210                 -4.185
 RC180  Fr= 1--       0.130                 -0.156                  0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02     0.01  -0.00  -0.01    -0.03   0.01   0.01
     2   6    -0.02  -0.03  -0.03    -0.04   0.01   0.03     0.08  -0.02  -0.03
     3   6     0.09   0.01  -0.06    -0.04  -0.04   0.05     0.00   0.04  -0.07
     4   6     0.02   0.03   0.05    -0.01  -0.02  -0.04    -0.01   0.01   0.02
     5   6     0.05  -0.00  -0.03     0.03  -0.01  -0.04     0.04  -0.02  -0.06
     6   6    -0.04   0.01   0.05    -0.13   0.04   0.14    -0.12   0.04   0.14
     7   8    -0.01  -0.01  -0.02     0.03  -0.00  -0.02     0.02  -0.01  -0.02
     8   6    -0.00   0.01   0.00     0.01   0.00  -0.01    -0.03   0.00   0.00
     9   6     0.05  -0.04   0.02     0.03   0.01  -0.00    -0.04  -0.02   0.00
    10   6    -0.12  -0.01   0.00    -0.05  -0.01  -0.07     0.08   0.03   0.10
    11   6     0.03   0.00  -0.01     0.04   0.00  -0.01     0.05   0.00  -0.02
    12   1     0.04   0.04   0.09     0.03   0.03   0.06    -0.03  -0.04  -0.08
    13   1    -0.12   0.47  -0.17    -0.02  -0.07  -0.01     0.03   0.14  -0.00
    14   1    -0.22  -0.27   0.04     0.02   0.35  -0.08     0.01  -0.39   0.07
    15   1     0.31   0.25   0.14     0.12   0.05   0.13    -0.23  -0.08  -0.23
    16   1     0.21  -0.07   0.23     0.34   0.19   0.28    -0.43  -0.22  -0.36
    17   1    -0.01  -0.06   0.00    -0.00   0.03   0.02     0.02  -0.01  -0.06
    18   1     0.02   0.06  -0.08    -0.03   0.01  -0.00     0.06  -0.04   0.01
    19   1    -0.04  -0.03  -0.02     0.01   0.04  -0.03     0.00  -0.07   0.08
    20   1    -0.03   0.01   0.02    -0.00   0.00   0.00     0.02  -0.02   0.01
    21   1    -0.02  -0.01   0.01     0.01  -0.03  -0.02    -0.04   0.05   0.05
    22   1    -0.01  -0.01  -0.02     0.01  -0.02  -0.03     0.01   0.03   0.04
    23   1    -0.32  -0.07   0.05     0.15   0.03  -0.05    -0.12  -0.03   0.03
    24   1    -0.34  -0.09  -0.03     0.61   0.11  -0.05     0.30   0.01  -0.05
    25   1    -0.04   0.02  -0.01    -0.05   0.03  -0.11    -0.06   0.03  -0.11
    26   1    -0.04  -0.03   0.01    -0.03  -0.11  -0.05    -0.03  -0.12  -0.05
    27   1     0.01  -0.04  -0.09    -0.01  -0.13  -0.28    -0.00  -0.11  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1289.9519              1303.8882              1337.3784
 Red. masses --      2.0363                 1.9694                 1.3621
 Frc consts  --      1.9964                 1.9727                 1.4354
 IR Inten    --      7.9247                11.5479                 0.5005
 RamAct Fr= 1--      5.8708                 1.3477                30.3728
  Dep-P Fr= 1--      0.5714                 0.4110                 0.2841
  Dep-U Fr= 1--      0.7272                 0.5825                 0.4425
 Alpha2 Fr= 1--      0.0198                 0.0096                 0.3265
 Beta2  Fr= 1--      0.7116                 0.1308                 2.2401
 AlphaG Fr= 1--     -0.0304                -0.0133                 0.0145
 Gamma2 Fr= 1--     -3.7077                -0.0261                 0.6726
 Delta2 Fr= 1--     -4.2658                -0.3445                 0.1189
 Raman1 Fr= 1--      23.483                  5.391                121.491
 ROA1   Fr= 1--    -492.439                -13.529                 68.372
 CID1   Fr= 1--     -20.970                 -2.510                  0.563
 Raman2 Fr= 1--       8.539                  1.570                 26.881
 ROA2   Fr= 1--     -54.858                  2.129                 15.191
 CID2   Fr= 1--      -6.424                  1.356                  0.565
 Raman3 Fr= 1--      17.078                  3.140                 53.762
 ROA3   Fr= 1--    -492.439                -13.529                 68.372
 CID3   Fr= 1--     -28.835                 -4.308                  1.272
 RC180  Fr= 1--       0.454                  0.165                 -0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.02    -0.03  -0.01   0.04    -0.00   0.01  -0.00
     2   6    -0.06   0.20   0.07     0.11   0.08  -0.18     0.01  -0.00  -0.02
     3   6     0.01  -0.07  -0.01    -0.03   0.02   0.08    -0.03   0.00   0.02
     4   6     0.02   0.02   0.02    -0.02  -0.02  -0.07    -0.01   0.04   0.10
     5   6     0.03  -0.00  -0.01    -0.06   0.00   0.04     0.00  -0.05  -0.12
     6   6    -0.01   0.00   0.02     0.04  -0.01  -0.04    -0.02   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.01
     8   6     0.01  -0.07  -0.01    -0.02  -0.04   0.04    -0.00  -0.00   0.00
     9   6     0.01  -0.16   0.01    -0.01  -0.08   0.04    -0.00  -0.00   0.00
    10   6     0.04   0.04   0.02    -0.02  -0.01  -0.00     0.00  -0.00  -0.01
    11   6     0.01   0.00  -0.00    -0.02  -0.00   0.01     0.00   0.01   0.01
    12   1    -0.10   0.56  -0.16    -0.01  -0.02  -0.08    -0.00  -0.01   0.02
    13   1    -0.07   0.22  -0.11    -0.09   0.62  -0.17     0.02   0.06  -0.00
    14   1    -0.11   0.36  -0.15    -0.02  -0.11   0.12     0.23   0.04   0.01
    15   1    -0.19  -0.08  -0.12    -0.10  -0.05  -0.06    -0.02  -0.01  -0.04
    16   1    -0.10  -0.08  -0.12     0.21   0.05   0.18     0.04   0.05   0.04
    17   1    -0.04   0.11   0.16    -0.04  -0.11   0.02    -0.03  -0.02   0.02
    18   1    -0.16  -0.02   0.09     0.04  -0.06   0.06    -0.00  -0.01   0.03
    19   1     0.08   0.16  -0.09    -0.04  -0.14   0.11    -0.00  -0.05   0.03
    20   1     0.09  -0.01  -0.16    -0.06   0.08  -0.09    -0.02   0.01   0.01
    21   1     0.10   0.10  -0.06     0.05   0.12   0.02    -0.00   0.01   0.01
    22   1    -0.02   0.06   0.08    -0.17   0.14   0.13    -0.02   0.01   0.01
    23   1    -0.14   0.01   0.01     0.25   0.00  -0.06     0.76   0.19   0.12
    24   1    -0.20  -0.01  -0.03     0.34   0.08   0.04    -0.46  -0.14  -0.12
    25   1    -0.02   0.01  -0.00     0.04  -0.02   0.03     0.01   0.00  -0.07
    26   1    -0.01  -0.02   0.00     0.03   0.04   0.00     0.02  -0.05  -0.04
    27   1     0.00  -0.01  -0.03    -0.01   0.03   0.07    -0.02  -0.05  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.7826              1389.0310              1405.6719
 Red. masses --      1.4893                 1.3438                 1.2754
 Frc consts  --      1.6657                 1.5276                 1.4848
 IR Inten    --     11.2261                36.5652                 8.8928
 RamAct Fr= 1--      1.6864                 0.9287                 0.9864
  Dep-P Fr= 1--      0.4250                 0.6710                 0.4100
  Dep-U Fr= 1--      0.5965                 0.8031                 0.5815
 Alpha2 Fr= 1--      0.0114                 0.0013                 0.0070
 Beta2  Fr= 1--      0.1677                 0.1243                 0.0956
 AlphaG Fr= 1--      0.0146                 0.0004                -0.0112
 Gamma2 Fr= 1--     -0.4777                -0.1211                -0.3219
 Delta2 Fr= 1--      0.2320                 0.1461                -0.0335
 Raman1 Fr= 1--       6.745                  3.715                  3.946
 ROA1   Fr= 1--     -38.433                 -6.954                -31.974
 CID1   Fr= 1--      -5.698                 -1.872                 -8.104
 Raman2 Fr= 1--       2.012                  1.492                  1.147
 ROA2   Fr= 1--     -13.321                 -4.075                 -7.457
 CID2   Fr= 1--      -6.621                 -2.732                 -6.500
 Raman3 Fr= 1--       4.024                  2.983                  2.295
 ROA3   Fr= 1--     -38.433                 -6.954                -31.974
 CID3   Fr= 1--      -9.552                 -2.331                -13.935
 RC180  Fr= 1--       0.193                  0.606                  0.163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.03  -0.06   0.07
     2   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02   0.01  -0.03
     3   6    -0.14  -0.03   0.00     0.03   0.01  -0.00    -0.02  -0.00   0.01
     4   6     0.03   0.01   0.01    -0.01   0.00   0.01     0.00   0.00   0.00
     5   6     0.10   0.03   0.02    -0.01  -0.02  -0.04     0.00  -0.00  -0.00
     6   6    -0.02   0.01   0.03    -0.04   0.01   0.05     0.00  -0.00  -0.00
     7   8    -0.02  -0.01  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.08   0.04   0.07
     9   6     0.00  -0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    10   6     0.01   0.00  -0.02    -0.00  -0.00   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04     0.03  -0.06  -0.14     0.00   0.00   0.00
    12   1     0.01  -0.01   0.01    -0.00   0.00   0.00    -0.00  -0.02  -0.02
    13   1     0.02   0.08   0.00    -0.00  -0.01   0.00    -0.00   0.05  -0.01
    14   1     0.75   0.11  -0.06    -0.15  -0.02   0.01     0.07  -0.01   0.01
    15   1    -0.05  -0.03  -0.06     0.01   0.01   0.01    -0.02  -0.02   0.02
    16   1     0.09   0.12   0.07    -0.02  -0.02  -0.02     0.02  -0.01   0.01
    17   1    -0.03  -0.07  -0.02     0.01   0.02   0.00     0.25   0.22  -0.18
    18   1     0.05  -0.05   0.05    -0.02   0.01  -0.01     0.04   0.15  -0.36
    19   1    -0.01  -0.07   0.06    -0.00   0.01  -0.01     0.00   0.31  -0.15
    20   1    -0.04   0.01   0.02     0.01  -0.01  -0.00     0.39  -0.05  -0.18
    21   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.17  -0.13  -0.38
    22   1    -0.02   0.02   0.02     0.01  -0.01  -0.00     0.25  -0.31  -0.13
    23   1    -0.42  -0.07  -0.01     0.19   0.04   0.02     0.02  -0.00   0.01
    24   1    -0.24  -0.03   0.03     0.10   0.00  -0.04    -0.02  -0.01  -0.00
    25   1    -0.08   0.01   0.13    -0.11  -0.04   0.57    -0.00   0.00  -0.01
    26   1    -0.09   0.06   0.11    -0.19   0.39   0.38    -0.00  -0.01  -0.00
    27   1     0.05   0.06   0.11     0.12   0.20   0.41     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.8678              1471.5776              1480.1373
 Red. masses --      1.2269                 1.0569                 1.0473
 Frc consts  --      1.4635                 1.3485                 1.3518
 IR Inten    --      3.3028                 9.8168                 9.7577
 RamAct Fr= 1--      0.7948                 3.0982                 3.8944
  Dep-P Fr= 1--      0.6914                 0.7452                 0.7500
  Dep-U Fr= 1--      0.8176                 0.8540                 0.8571
 Alpha2 Fr= 1--      0.0008                 0.0003                 0.0000
 Beta2  Fr= 1--      0.1083                 0.4410                 0.5563
 AlphaG Fr= 1--     -0.0033                -0.0013                 0.0001
 Gamma2 Fr= 1--     -0.1131                -0.4244                 1.4780
 Delta2 Fr= 1--     -0.0904                -0.2298                 1.1143
 Raman1 Fr= 1--       3.179                 12.393                 15.578
 ROA1   Fr= 1--     -13.751                -48.099                177.545
 CID1   Fr= 1--      -4.325                 -3.881                 11.397
 Raman2 Fr= 1--       1.300                  5.292                  6.676
 ROA2   Fr= 1--      -1.992                 -8.348                 26.557
 CID2   Fr= 1--      -1.533                 -1.578                  3.978
 Raman3 Fr= 1--       2.599                 10.583                 13.352
 ROA3   Fr= 1--     -13.751                -48.099                177.545
 CID3   Fr= 1--      -5.291                 -4.545                 13.297
 RC180  Fr= 1--       0.635                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.07  -0.07     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.01   0.02     0.00  -0.02   0.01
     7   8     0.00   0.00   0.00    -0.02  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6     0.01  -0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00   0.00    -0.05  -0.01   0.01     0.01  -0.05   0.02
    12   1    -0.00   0.02  -0.06    -0.00   0.00   0.01    -0.00   0.00   0.01
    13   1    -0.06   0.01  -0.03     0.01   0.00   0.00     0.01   0.00   0.00
    14   1    -0.06   0.02  -0.01     0.03   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.01   0.02     0.01   0.01  -0.02    -0.01  -0.01   0.02
    16   1     0.01  -0.03  -0.00    -0.01   0.02  -0.00     0.01  -0.02  -0.00
    17   1    -0.28  -0.29   0.17     0.00   0.01   0.00    -0.03   0.00   0.03
    18   1     0.00  -0.19   0.40    -0.01   0.01  -0.01     0.04  -0.01  -0.03
    19   1    -0.01  -0.34   0.17    -0.00  -0.01   0.00     0.05   0.02   0.04
    20   1     0.36  -0.07  -0.12     0.00  -0.01   0.01     0.01   0.01  -0.03
    21   1     0.12  -0.16  -0.32     0.00  -0.00  -0.00    -0.02  -0.01   0.02
    22   1     0.22  -0.26  -0.12     0.00   0.01   0.01    -0.03  -0.02  -0.03
    23   1    -0.00   0.01  -0.01    -0.05  -0.01   0.00     0.00  -0.00   0.00
    24   1     0.02   0.01  -0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    25   1     0.01  -0.00   0.00     0.53  -0.17   0.30    -0.42   0.08   0.21
    26   1     0.01   0.01  -0.00     0.41   0.49   0.02     0.40   0.03  -0.26
    27   1    -0.00  -0.00  -0.00    -0.11  -0.18  -0.38    -0.12   0.65  -0.28
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1638              1485.1971              1492.4537
 Red. masses --      1.0673                 1.0452                 1.0649
 Frc consts  --      1.3834                 1.3583                 1.3975
 IR Inten    --      1.3267                 1.5347                 6.0018
 RamAct Fr= 1--      5.7830                 8.7619                 5.3131
  Dep-P Fr= 1--      0.7042                 0.7133                 0.7499
  Dep-U Fr= 1--      0.8264                 0.8327                 0.8571
 Alpha2 Fr= 1--      0.0046                 0.0056                 0.0000
 Beta2  Fr= 1--      0.7965                 1.2160                 0.7590
 AlphaG Fr= 1--     -0.0232                 0.0062                -0.0007
 Gamma2 Fr= 1--     -1.9073                -1.2911                 1.6142
 Delta2 Fr= 1--     -0.8351                -0.2288                 0.7103
 Raman1 Fr= 1--      23.132                 35.048                 21.252
 ROA1   Fr= 1--    -209.818               -131.271                177.697
 CID1   Fr= 1--      -9.070                 -3.746                  8.361
 Raman2 Fr= 1--       9.558                 14.592                  9.108
 ROA2   Fr= 1--     -39.093                -29.156                 33.059
 CID2   Fr= 1--      -4.090                 -1.998                  3.630
 Raman3 Fr= 1--      19.116                 29.183                 18.215
 ROA3   Fr= 1--    -209.818               -131.271                177.697
 CID3   Fr= 1--     -10.976                 -4.498                  9.755
 RC180  Fr= 1--       0.653                  0.665                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.01   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.01   0.03    -0.00  -0.02   0.01
     9   6    -0.02  -0.01  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    12   1    -0.04   0.10   0.36    -0.00   0.00   0.00     0.02  -0.04  -0.22
    13   1     0.35   0.06   0.12     0.00  -0.00   0.01    -0.22  -0.07  -0.07
    14   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.18   0.27    -0.01  -0.01   0.03     0.17   0.20  -0.30
    16   1     0.15  -0.33  -0.01     0.01  -0.03  -0.01    -0.17   0.36   0.01
    17   1    -0.00  -0.26  -0.17    -0.20  -0.06   0.21     0.02  -0.34  -0.25
    18   1     0.21  -0.15   0.09     0.36  -0.10  -0.21     0.29  -0.20   0.10
    19   1    -0.04   0.15  -0.12     0.37   0.22   0.26    -0.05   0.23  -0.17
    20   1    -0.19   0.14  -0.10     0.09   0.16  -0.31    -0.15   0.13  -0.12
    21   1     0.14   0.31  -0.03    -0.17  -0.09   0.23     0.11   0.26  -0.00
    22   1     0.19  -0.09   0.02    -0.33  -0.17  -0.31     0.15  -0.10  -0.01
    23   1    -0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.02  -0.01   0.00     0.05  -0.01  -0.02    -0.01   0.00   0.01
    26   1     0.00   0.01   0.00    -0.04   0.01   0.03     0.01   0.00  -0.01
    27   1    -0.00  -0.01  -0.01     0.01  -0.07   0.03    -0.00   0.02  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9772              1505.3942              1509.0072
 Red. masses --      1.0905                 1.0666                 1.0665
 Frc consts  --      1.4494                 1.4241                 1.4308
 IR Inten    --      3.7765                 9.3533                 6.0435
 RamAct Fr= 1--      6.8143                 5.7555                 0.4100
  Dep-P Fr= 1--      0.6288                 0.7024                 0.2827
  Dep-U Fr= 1--      0.7721                 0.8252                 0.4407
 Alpha2 Fr= 1--      0.0150                 0.0048                 0.0044
 Beta2  Fr= 1--      0.8769                 0.7916                 0.0301
 AlphaG Fr= 1--     -0.0063                -0.0199                -0.0068
 Gamma2 Fr= 1--     -0.9557                -0.0565                -0.2276
 Delta2 Fr= 1--      0.2363                 1.1708                -0.0206
 Raman1 Fr= 1--      27.257                 23.022                  1.640
 ROA1   Fr= 1--     -84.187                 32.040                -22.510
 CID1   Fr= 1--      -3.089                  1.392                -13.724
 Raman2 Fr= 1--      10.523                  9.499                  0.361
 ROA2   Fr= 1--     -24.827                -10.723                 -5.298
 CID2   Fr= 1--      -2.359                 -1.129                -14.658
 Raman3 Fr= 1--      21.046                 18.998                  0.723
 ROA3   Fr= 1--     -84.187                 32.040                -22.510
 CID3   Fr= 1--      -4.000                  1.686                -31.138
 RC180  Fr= 1--       0.544                  0.650                 -0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.01  -0.02     0.02   0.02   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.02    -0.00   0.02  -0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.05   0.12   0.36    -0.03   0.06   0.24     0.04  -0.06  -0.25
    13   1     0.36   0.09   0.12     0.24   0.06   0.08    -0.25  -0.07  -0.08
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.13  -0.20     0.13   0.14  -0.21    -0.07  -0.08   0.13
    16   1    -0.11   0.25   0.01    -0.12   0.27   0.01     0.07  -0.15  -0.00
    17   1    -0.09  -0.15   0.02    -0.08   0.29   0.28    -0.17   0.03   0.23
    18   1     0.24  -0.11  -0.05    -0.19   0.16  -0.13     0.23  -0.02  -0.22
    19   1     0.14   0.17   0.05     0.13  -0.19   0.23     0.32   0.13   0.25
    20   1     0.16  -0.26   0.31    -0.19   0.19  -0.16    -0.17  -0.11   0.28
    21   1    -0.03  -0.30  -0.16     0.17   0.35  -0.04     0.18   0.14  -0.21
    22   1    -0.01   0.22   0.19     0.24  -0.18  -0.02     0.33   0.15   0.29
    23   1     0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01     0.01  -0.00   0.00
    26   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00    -0.01   0.00   0.01
    27   1     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.3405              1736.6947              3021.4584
 Red. masses --      5.8293                 9.9153                 1.0347
 Frc consts  --      9.8714                17.6198                 5.5652
 IR Inten    --     64.9537               287.7338                25.3744
 RamAct Fr= 1--    522.2021               275.6197                33.2813
  Dep-P Fr= 1--      0.2864                 0.3177                 0.0732
  Dep-U Fr= 1--      0.4453                 0.4822                 0.1365
 Alpha2 Fr= 1--      5.5762                 2.6790                 0.6218
 Beta2  Fr= 1--     38.7532                22.1518                 0.7569
 AlphaG Fr= 1--     -0.2585                 0.0726                 0.0678
 Gamma2 Fr= 1--     -3.0620                 2.4640                -1.8458
 Delta2 Fr= 1--      1.6157                -0.1996                -1.5679
 Raman1 Fr= 1--    2088.809               1102.479                133.125
 ROA1   Fr= 1--    -242.250                230.154               -227.369
 CID1   Fr= 1--      -0.116                  0.209                 -1.708
 Raman2 Fr= 1--     465.039                265.821                  9.083
 ROA2   Fr= 1--     -86.414                 60.732                -31.756
 CID2   Fr= 1--      -0.186                  0.228                 -3.496
 Raman3 Fr= 1--     930.078                531.643                 18.166
 ROA3   Fr= 1--    -242.250                230.154               -227.369
 CID3   Fr= 1--      -0.260                  0.433                -12.516
 RC180  Fr= 1--      -0.109                 -0.036                 -0.727
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.14   0.14    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.40  -0.14  -0.14    -0.06  -0.03  -0.03     0.00   0.00   0.00
     6   6    -0.00  -0.01  -0.02     0.54   0.27   0.39     0.00  -0.00  -0.00
     7   8     0.05   0.02   0.02    -0.35  -0.18  -0.25    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.02  -0.03    -0.00   0.00   0.00
    12   1     0.00   0.01   0.01    -0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.22   0.04  -0.02    -0.00   0.00  -0.00    -0.00   0.01   0.02
    15   1     0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01  -0.00
    16   1     0.01   0.04   0.03     0.00   0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.02  -0.01   0.02    -0.00  -0.00  -0.00    -0.24   0.10  -0.16
    18   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.12   0.22   0.13
    19   1     0.01   0.00   0.01    -0.00   0.00  -0.00     0.14  -0.09  -0.13
    20   1    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.21  -0.41  -0.24
    21   1     0.01  -0.01  -0.01     0.00  -0.00  -0.01     0.42  -0.16   0.30
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14   0.30  -0.31
    23   1    -0.54  -0.03   0.16    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.39  -0.01  -0.18     0.30   0.05  -0.01     0.00   0.00   0.00
    25   1     0.04  -0.02   0.00    -0.09   0.02  -0.19    -0.00  -0.00  -0.00
    26   1     0.03   0.03  -0.01    -0.05  -0.17  -0.11    -0.00   0.00  -0.00
    27   1    -0.01   0.00   0.01     0.05   0.13   0.27     0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.8051              3040.4778              3050.4954
 Red. masses --      1.0360                 1.0372                 1.0581
 Frc consts  --      5.5922                 5.6491                 5.8009
 IR Inten    --     25.7045                 4.3117                43.5468
 RamAct Fr= 1--    262.9134               137.3055               139.2564
  Dep-P Fr= 1--      0.0263                 0.0075                 0.0993
  Dep-U Fr= 1--      0.0513                 0.0150                 0.1806
 Alpha2 Fr= 1--      5.4927                 2.9980                 2.4424
 Beta2  Fr= 1--      2.2489                 0.3422                 4.1924
 AlphaG Fr= 1--     -1.0957                -0.5116                -0.0542
 Gamma2 Fr= 1--      2.7388                -0.0335                -1.4615
 Delta2 Fr= 1--     -0.3701                 1.2617                -3.0784
 Raman1 Fr= 1--    1051.654                549.222                557.026
 ROA1   Fr= 1--     251.078                 37.162               -238.816
 CID1   Fr= 1--       0.239                  0.068                 -0.429
 Raman2 Fr= 1--      26.986                  4.106                 50.309
 ROA2   Fr= 1--      68.691                -10.897                -10.450
 CID2   Fr= 1--       2.545                 -2.654                 -0.208
 Raman3 Fr= 1--      53.973                  8.212                100.619
 ROA3   Fr= 1--     251.078                 37.162               -238.816
 CID3   Fr= 1--       4.652                  4.525                 -2.373
 RC180  Fr= 1--      -0.897                 -0.970                 -0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.06
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
    12   1    -0.07  -0.01   0.00     0.00   0.00   0.00     0.63   0.09  -0.00
    13   1     0.03  -0.01  -0.07    -0.00   0.00   0.00    -0.30   0.15   0.66
    14   1    -0.00   0.02   0.04    -0.00  -0.00  -0.00    -0.00   0.03   0.08
    15   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.08  -0.11  -0.04
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.04
    17   1     0.45  -0.18   0.30    -0.00   0.00  -0.00     0.04  -0.02   0.03
    18   1    -0.23  -0.41  -0.24     0.00   0.00   0.00    -0.03  -0.05  -0.03
    19   1    -0.27   0.18   0.25     0.00  -0.00  -0.00    -0.01   0.01   0.01
    20   1    -0.11  -0.21  -0.13     0.00   0.00   0.00    -0.02  -0.04  -0.02
    21   1     0.22  -0.09   0.15    -0.00   0.00  -0.00     0.02  -0.01   0.01
    22   1     0.08   0.17  -0.17    -0.00  -0.00   0.00     0.01   0.03  -0.03
    23   1     0.00  -0.01  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.17   0.62   0.02    -0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00     0.35  -0.34   0.44    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.38  -0.04   0.08     0.00   0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3061.7898              3069.5982              3080.1243
 Red. masses --      1.0783                 1.0674                 1.1018
 Frc consts  --      5.9558                 5.9255                 6.1586
 IR Inten    --     19.1590                23.8673                 2.0379
 RamAct Fr= 1--     30.9244               224.3839                10.3487
  Dep-P Fr= 1--      0.7200                 0.0199                 0.6253
  Dep-U Fr= 1--      0.8372                 0.0390                 0.7695
 Alpha2 Fr= 1--      0.0160                 4.7591                 0.0235
 Beta2  Fr= 1--      4.3149                 1.4603                 1.3271
 AlphaG Fr= 1--     -0.0868                 0.4144                 0.0362
 Gamma2 Fr= 1--     10.3395                -7.9197                 3.0330
 Delta2 Fr= 1--     -1.0171                -8.0279                 1.3541
 Raman1 Fr= 1--     123.698                897.536                 41.395
 ROA1   Fr= 1--     960.046              -1017.182                334.496
 CID1   Fr= 1--       7.761                 -1.133                  8.081
 Raman2 Fr= 1--      51.779                 17.524                 15.926
 ROA2   Fr= 1--     256.285               -125.850                 61.958
 CID2   Fr= 1--       4.950                 -7.182                  3.890
 Raman3 Fr= 1--     103.558                 35.048                 31.851
 ROA3   Fr= 1--     960.046              -1017.182                334.496
 CID3   Fr= 1--       9.271                -29.022                 10.502
 RC180  Fr= 1--       0.674                 -0.922                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.04     0.00   0.00   0.01
     4   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00    -0.01   0.01  -0.01     0.04   0.01   0.04
     9   6     0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01   0.00   0.00
    10   6    -0.00  -0.03   0.02     0.01  -0.06   0.02     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.04  -0.01  -0.00     0.06   0.01  -0.00     0.06   0.01   0.00
    13   1    -0.01   0.00   0.02    -0.06   0.03   0.14     0.02  -0.01  -0.04
    14   1     0.02   0.26   0.81    -0.01  -0.14  -0.45    -0.00  -0.02  -0.07
    15   1    -0.19   0.25   0.09    -0.38   0.52   0.18    -0.03   0.05   0.01
    16   1     0.22   0.08  -0.30     0.31   0.11  -0.41    -0.00  -0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.41  -0.18   0.28
    18   1     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.21   0.40   0.22
    19   1     0.01  -0.01  -0.01    -0.02   0.01   0.02     0.05  -0.04  -0.07
    20   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01    -0.17  -0.36  -0.21
    21   1    -0.05   0.02  -0.03     0.09  -0.03   0.06    -0.37   0.15  -0.25
    22   1    -0.00  -0.00   0.01    -0.02  -0.03   0.03     0.03   0.05  -0.03
    23   1     0.01  -0.03  -0.07    -0.00   0.01   0.02    -0.00   0.01   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.5089              3089.3587              3091.0755
 Red. masses --      1.1011                 1.1019                 1.1068
 Frc consts  --      6.1765                 6.1965                 6.2310
 IR Inten    --     46.3497                21.5361                26.8831
 RamAct Fr= 1--    125.8234                60.0469                57.1779
  Dep-P Fr= 1--      0.7416                 0.7500                 0.6126
  Dep-U Fr= 1--      0.8517                 0.8571                 0.7598
 Alpha2 Fr= 1--      0.0179                 0.0000                 0.1444
 Beta2  Fr= 1--     17.8599                 8.5781                 7.2402
 AlphaG Fr= 1--      0.0848                 0.0007                -0.1488
 Gamma2 Fr= 1--     -9.4858                15.0581               -37.4479
 Delta2 Fr= 1--      5.2078                 4.3822               -19.5608
 Raman1 Fr= 1--     503.294                240.188                228.712
 ROA1   Fr= 1--    -743.985               1585.809              -4220.944
 CID1   Fr= 1--      -1.478                  6.602                -18.455
 Raman2 Fr= 1--     214.318                102.937                 86.882
 ROA2   Fr= 1--    -269.322                326.337               -742.263
 CID2   Fr= 1--      -1.257                  3.170                 -8.543
 Raman3 Fr= 1--     428.636                205.875                173.765
 ROA3   Fr= 1--    -743.985               1585.809              -4220.944
 CID3   Fr= 1--      -1.736                  7.703                -24.291
 RC180  Fr= 1--       0.703                  0.714                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01  -0.03     0.01  -0.01  -0.01     0.01  -0.02  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.05  -0.01  -0.05     0.01   0.07  -0.04    -0.02  -0.03   0.00
     9   6     0.01   0.00  -0.01    -0.02   0.00   0.01    -0.07   0.00   0.04
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.02  -0.01  -0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.11  -0.02  -0.00     0.22   0.03   0.01     0.64   0.10   0.02
    13   1    -0.03   0.02   0.08     0.07  -0.04  -0.18     0.19  -0.10  -0.46
    14   1     0.00   0.01   0.04     0.00   0.02   0.05     0.00   0.01   0.04
    15   1     0.04  -0.05  -0.02     0.02  -0.02  -0.01    -0.15   0.22   0.07
    16   1     0.01   0.01  -0.02    -0.03  -0.01   0.03    -0.13  -0.05   0.17
    17   1     0.38  -0.17   0.26    -0.02   0.01  -0.02    -0.02   0.00  -0.02
    18   1     0.18   0.35   0.19     0.04   0.06   0.04     0.06   0.10   0.06
    19   1     0.07  -0.06  -0.09    -0.11   0.07   0.11    -0.13   0.08   0.12
    20   1     0.18   0.39   0.23    -0.15  -0.28  -0.19     0.10   0.20   0.12
    21   1     0.41  -0.17   0.28     0.25  -0.08   0.16     0.02  -0.02   0.02
    22   1    -0.04  -0.05   0.04    -0.26  -0.52   0.54     0.08   0.17  -0.19
    23   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.2829              3096.6647              3116.9024
 Red. masses --      1.0993                 1.1008                 1.1072
 Frc consts  --      6.2093                 6.2194                 6.3377
 IR Inten    --      9.7706                30.5653                38.1556
 RamAct Fr= 1--     30.3316                59.9775                94.0540
  Dep-P Fr= 1--      0.7471                 0.7498                 0.5828
  Dep-U Fr= 1--      0.8553                 0.8570                 0.7365
 Alpha2 Fr= 1--      0.0015                 0.0003                 0.2943
 Beta2  Fr= 1--      4.3235                 8.5666                11.5444
 AlphaG Fr= 1--     -0.0591                 0.0014                 0.2496
 Gamma2 Fr= 1--     -0.3408                13.7270                24.1789
 Delta2 Fr= 1--     -0.5555                -2.4338                16.9516
 Raman1 Fr= 1--     121.326                239.910                376.216
 ROA1   Fr= 1--     -50.491               1239.908               2863.622
 CID1   Fr= 1--      -0.416                  5.168                  7.612
 Raman2 Fr= 1--      51.883                102.799                138.532
 ROA2   Fr= 1--      -3.735                348.918                444.680
 CID2   Fr= 1--      -0.072                  3.394                  3.210
 Raman3 Fr= 1--     103.765                205.598                277.065
 ROA3   Fr= 1--     -50.491               1239.908               2863.622
 CID3   Fr= 1--      -0.487                  6.031                 10.336
 RC180  Fr= 1--       0.711                  0.714                  0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.06   0.05     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.00
     9   6     0.00   0.00  -0.00    -0.02   0.00   0.01     0.03  -0.00  -0.02
    10   6    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.06  -0.02  -0.06
    11   6     0.02  -0.08   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.01  -0.00  -0.00     0.18   0.03   0.01    -0.24  -0.04  -0.01
    13   1    -0.00   0.00   0.01     0.07  -0.04  -0.16    -0.10   0.05   0.25
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.02     0.00   0.02   0.07
    15   1     0.00  -0.00  -0.00    -0.05   0.08   0.02    -0.31   0.45   0.14
    16   1     0.00   0.00  -0.01    -0.06  -0.02   0.07    -0.41  -0.18   0.56
    17   1    -0.01   0.00  -0.01     0.16  -0.06   0.13    -0.01   0.00  -0.00
    18   1     0.01   0.02   0.01    -0.19  -0.31  -0.17     0.01   0.01   0.01
    19   1    -0.03   0.02   0.03     0.55  -0.34  -0.52    -0.02   0.01   0.02
    20   1     0.00   0.00   0.00    -0.02  -0.03  -0.02    -0.01  -0.02  -0.02
    21   1    -0.00   0.00  -0.00     0.04  -0.01   0.02     0.01  -0.00   0.01
    22   1     0.00   0.01  -0.01    -0.03  -0.06   0.06    -0.03  -0.05   0.06
    23   1     0.00  -0.00  -0.01    -0.01   0.03   0.08     0.01  -0.04  -0.10
    24   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.20   0.68   0.04     0.01   0.04   0.00    -0.00   0.00   0.00
    26   1    -0.39   0.34  -0.47    -0.02   0.02  -0.03    -0.00   0.00  -0.00
    27   1    -0.01  -0.02   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.4068              3146.1764              3158.7765
 Red. masses --      1.0888                 1.1008                 1.0883
 Frc consts  --      6.3226                 6.4201                 6.3980
 IR Inten    --     12.0967                10.3980                 9.9823
 RamAct Fr= 1--     61.2269                79.1382                50.3141
  Dep-P Fr= 1--      0.1787                 0.6104                 0.2208
  Dep-U Fr= 1--      0.3033                 0.7581                 0.3617
 Alpha2 Fr= 1--      0.8792                 0.2032                 0.6463
 Beta2  Fr= 1--      3.0949                 9.9991                 3.0331
 AlphaG Fr= 1--     -0.3466                 0.0605                 0.3973
 Gamma2 Fr= 1--     -1.5363                 1.3291                 2.1008
 Delta2 Fr= 1--      0.1095                 1.3391                 1.0010
 Raman1 Fr= 1--     244.908                316.553                201.257
 ROA1   Fr= 1--    -143.982                170.445                233.708
 CID1   Fr= 1--      -0.588                  0.538                  1.161
 Raman2 Fr= 1--      37.138                119.989                 36.397
 ROA2   Fr= 1--     -37.747                 21.186                 42.410
 CID2   Fr= 1--      -1.016                  0.177                  1.165
 Raman3 Fr= 1--      74.277                239.978                 72.794
 ROA3   Fr= 1--    -143.982                170.445                233.708
 CID3   Fr= 1--      -1.938                  0.710                  3.211
 RC180  Fr= 1--      -0.393                  0.516                 -0.277
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.03  -0.07     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     5   6     0.00   0.01   0.02     0.00   0.00   0.01     0.00  -0.03  -0.08
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.01   0.00  -0.00    -0.09  -0.02   0.00    -0.00  -0.00   0.00
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   1    -0.02   0.01   0.04    -0.00   0.00   0.01    -0.00   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.04
    15   1    -0.03   0.05   0.02    -0.00   0.01   0.00    -0.00   0.01   0.00
    16   1    -0.03  -0.01   0.04    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.06   0.03   0.05    -0.01   0.01   0.01    -0.01   0.01   0.01
    20   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.09   0.36   0.87    -0.01   0.06   0.13    -0.02   0.08   0.19
    24   1     0.01  -0.08  -0.18     0.01  -0.03  -0.08    -0.06   0.38   0.89
    25   1    -0.00  -0.02  -0.00     0.06   0.26   0.01     0.00   0.01   0.00
    26   1    -0.01   0.01  -0.02     0.13  -0.14   0.18     0.01  -0.01   0.01
    27   1    -0.15  -0.01   0.04     0.88   0.08  -0.20     0.04   0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   822.245333556.796303632.79357
           X            0.99977  -0.01240  -0.01744
           Y            0.01269   0.99978   0.01688
           Z            0.01723  -0.01710   0.99971
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10534     0.02435     0.02384
 Rotational constants (GHZ):           2.19489     0.50741     0.49679
 Zero-point vibrational energy     622135.1 (Joules/Mol)
                                  148.69385 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.50    88.44   106.17   179.38   218.24
          (Kelvin)            223.31   315.21   348.53   387.03   402.27
                              478.22   509.81   533.88   578.88   643.11
                              775.57   804.62   847.84   906.76  1050.43
                             1155.84  1213.15  1251.47  1285.04  1303.37
                             1362.04  1376.39  1404.07  1419.00  1460.47
                             1472.29  1491.79  1507.98  1512.27  1662.22
                             1719.52  1733.43  1766.32  1787.21  1801.16
                             1828.78  1842.99  1855.95  1876.00  1924.19
                             1982.32  1998.51  2022.45  2047.19  2117.27
                             2129.59  2133.94  2136.87  2147.31  2161.01
                             2165.93  2171.12  2439.22  2498.72  4347.20
                             4354.90  4374.57  4388.98  4405.23  4416.47
                             4431.61  4439.36  4444.90  4447.37  4454.86
                             4455.41  4484.53  4516.91  4526.65  4544.77
 
 Zero-point correction=                           0.236959 (Hartree/Particle)
 Thermal correction to Energy=                    0.249458
 Thermal correction to Enthalpy=                  0.250402
 Thermal correction to Gibbs Free Energy=         0.197971
 Sum of electronic and zero-point Energies=           -465.873446
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912433
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.537             46.448            110.350
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.742
 Vibrational            154.760             40.487             38.640
 Vibration     1          0.594              1.981              5.331
 Vibration     2          0.597              1.973              4.409
 Vibration     3          0.599              1.966              4.050
 Vibration     4          0.610              1.928              3.027
 Vibration     5          0.619              1.901              2.651
 Vibration     6          0.620              1.897              2.607
 Vibration     7          0.647              1.812              1.967
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.673              1.730              1.603
 Vibration    10          0.680              1.711              1.536
 Vibration    11          0.714              1.611              1.248
 Vibration    12          0.730              1.566              1.147
 Vibration    13          0.743              1.532              1.075
 Vibration    14          0.768              1.465              0.954
 Vibration    15          0.806              1.368              0.805
 Vibration    16          0.894              1.164              0.567
 Vibration    17          0.915              1.120              0.525
 Vibration    18          0.947              1.055              0.468
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.870030D-91        -91.060466       -209.674471
 Total V=0       0.856814D+18         17.932887         41.291998
 Vib (Bot)       0.101112-104       -104.995196       -241.760373
 Vib (Bot)    1  0.536439D+01          0.729521          1.679783
 Vib (Bot)    2  0.335883D+01          0.526188          1.211594
 Vib (Bot)    3  0.279335D+01          0.446126          1.027242
 Vib (Bot)    4  0.163727D+01          0.214121          0.493032
 Vib (Bot)    5  0.133610D+01          0.125838          0.289752
 Vib (Bot)    6  0.130444D+01          0.115425          0.265776
 Vib (Bot)    7  0.903208D+00         -0.044212         -0.101802
 Vib (Bot)    8  0.808607D+00         -0.092262         -0.212442
 Vib (Bot)    9  0.718810D+00         -0.143386         -0.330158
 Vib (Bot)   10  0.687807D+00         -0.162533         -0.374247
 Vib (Bot)   11  0.561322D+00         -0.250788         -0.577460
 Vib (Bot)   12  0.519222D+00         -0.284647         -0.655424
 Vib (Bot)   13  0.490277D+00         -0.309559         -0.712785
 Vib (Bot)   14  0.442236D+00         -0.354346         -0.815912
 Vib (Bot)   15  0.384589D+00         -0.415004         -0.955581
 Vib (Bot)   16  0.294181D+00         -0.531385         -1.223559
 Vib (Bot)   17  0.278123D+00         -0.555763         -1.279690
 Vib (Bot)   18  0.256186D+00         -0.591445         -1.361853
 Vib (V=0)       0.995765D+04          3.998157          9.206096
 Vib (V=0)    1  0.588764D+01          0.769942          1.772856
 Vib (V=0)    2  0.389584D+01          0.590602          1.359910
 Vib (V=0)    3  0.333775D+01          0.523454          1.205296
 Vib (V=0)    4  0.221192D+01          0.344769          0.793860
 Vib (V=0)    5  0.192659D+01          0.284789          0.655750
 Vib (V=0)    6  0.189699D+01          0.278064          0.640266
 Vib (V=0)    7  0.153237D+01          0.185363          0.426815
 Vib (V=0)    8  0.145071D+01          0.161580          0.372052
 Vib (V=0)    9  0.137561D+01          0.138495          0.318895
 Vib (V=0)   10  0.135034D+01          0.130443          0.300357
 Vib (V=0)   11  0.125172D+01          0.097507          0.224518
 Vib (V=0)   12  0.122083D+01          0.086654          0.199529
 Vib (V=0)   13  0.120027D+01          0.079277          0.182542
 Vib (V=0)   14  0.116751D+01          0.067261          0.154875
 Vib (V=0)   15  0.113080D+01          0.053386          0.122925
 Vib (V=0)   16  0.108012D+01          0.033473          0.077075
 Vib (V=0)   17  0.107215D+01          0.030254          0.069664
 Vib (V=0)   18  0.106181D+01          0.026047          0.059975
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116680D+07          6.066996         13.969775
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000010965    0.000003526   -0.000010813
      2        6           0.000016793    0.000000254    0.000042509
      3        6          -0.000027443    0.000021782   -0.000034830
      4        6           0.000007155   -0.000024500    0.000006201
      5        6          -0.000004801    0.000003923   -0.000000200
      6        6          -0.000000189   -0.000008067   -0.000002143
      7        8           0.000002207    0.000001575   -0.000001639
      8        6          -0.000003080   -0.000005121   -0.000015391
      9        6          -0.000021396   -0.000008328   -0.000012893
     10        6           0.000016201    0.000007672    0.000018905
     11        6          -0.000003189    0.000000037    0.000011319
     12        1           0.000001910    0.000004236    0.000006469
     13        1           0.000002822    0.000002776    0.000009815
     14        1          -0.000001140    0.000003881    0.000001219
     15        1           0.000003819    0.000002861   -0.000007810
     16        1           0.000006388   -0.000011574   -0.000002855
     17        1           0.000000582   -0.000000013   -0.000001417
     18        1          -0.000002340   -0.000007148    0.000000758
     19        1           0.000001801   -0.000009880   -0.000001226
     20        1          -0.000001305   -0.000001896   -0.000004005
     21        1          -0.000000117    0.000001382    0.000002785
     22        1          -0.000003935    0.000008557    0.000000441
     23        1          -0.000002502    0.000009776    0.000000145
     24        1           0.000004269    0.000004902   -0.000005446
     25        1          -0.000001012    0.000001179   -0.000001464
     26        1          -0.000001853   -0.000000987   -0.000000963
     27        1          -0.000000612   -0.000000807    0.000002530
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042509 RMS     0.000010125
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168473D+03  0.740742D+01  0.567528D+01
      2   0.740742D+01  0.108348D+03  0.414604D+01
      3   0.567528D+01  0.414604D+01  0.110808D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.907417D+01  0.854064D+01 -0.282814D+01
      2   0.123379D+02 -0.108732D+02  0.160917D+02
      3   0.301811D+02 -0.420585D+02  0.187894D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.720381D+02 -0.448390D+02 -0.260988D+02
      2   0.606731D+02  0.390804D+02 -0.195894D+01
      3   0.113650D+02  0.575853D+01  0.280577D+02
      4  -0.442861D+02  0.948899D+02 -0.392981D+02
      5  -0.248217D+02 -0.445663D+02  0.231733D+02
      6  -0.237431D+02  0.131363D+02 -0.107044D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.220362D+01  0.139185D+01 -0.411175D+01  0.704398D+00  0.967496D+00
      2   0.139185D+01  0.906458D+00  0.370025D+01  0.967496D+00  0.301031D+01
      3  -0.411175D+01  0.370025D+01 -0.535484D+00  0.365781D+01  0.138131D+01
                 6             7             8             9            10 
      1   0.365781D+01 -0.459299D+01  0.376749D+01 -0.345810D+00  0.189480D+02
      2   0.138131D+01  0.376749D+01  0.184736D+01 -0.387842D+00 -0.233780D+01
      3  -0.101423D+01 -0.345810D+00 -0.387842D+00 -0.167587D+01  0.510168D+01
                11            12            13            14            15 
      1  -0.233780D+01  0.510168D+01 -0.564224D+01  0.126049D+01 -0.414110D+01
      2  -0.864383D-01 -0.334979D+01  0.126049D+01 -0.444003D+01 -0.212588D+01
      3  -0.334979D+01  0.293408D+00 -0.414110D+01 -0.212588D+01  0.168366D+00
                16            17            18            19            20 
      1   0.162437D+02 -0.421998D+01  0.184811D+01 -0.398444D+02 -0.196583D+01
      2  -0.421998D+01 -0.223616D+01  0.172955D+00 -0.196583D+01 -0.377626D+01
      3   0.184811D+01  0.172955D+00  0.904243D+00 -0.450781D+01  0.105877D+01
                21            22            23            24            25 
      1  -0.450781D+01  0.360869D+01 -0.834309D+01  0.278864D+01 -0.749644D+01
      2   0.105877D+01 -0.834309D+01 -0.211096D+01 -0.741790D+00  0.228540D+01
      3  -0.611400D+00  0.278864D+01 -0.741790D+00  0.284152D+01 -0.971836D+00
                26            27            28            29            30 
      1   0.228540D+01 -0.971836D+00  0.598148D+02  0.617075D+01  0.541879D+01
      2  -0.617577D+00  0.270642D+01  0.617075D+01  0.320423D+01 -0.153786D-02
      3   0.270642D+01  0.357355D+01  0.541879D+01 -0.153786D-02  0.212482D+01
                31            32            33            34            35 
      1   0.123582D+02  0.771133D+01 -0.805456D+00  0.998784D+01 -0.828689D-01
      2   0.771133D+01  0.405417D+01  0.147728D+00 -0.828689D-01  0.418455D+00
      3  -0.805456D+00  0.147728D+00 -0.187706D+01  0.422377D+01 -0.173885D+01
                36            37            38            39            40 
      1   0.422377D+01 -0.587128D+02 -0.812131D+01 -0.646026D+01 -0.130140D+02
      2  -0.173885D+01 -0.812131D+01 -0.266087D+01 -0.130522D+00 -0.578567D+01
      3  -0.202788D+01 -0.646026D+01 -0.130522D+00 -0.977945D+00  0.147075D+00
                41            42            43            44            45 
      1  -0.578567D+01  0.147075D+00 -0.835141D+01  0.770084D-01 -0.331697D+01
      2  -0.305446D+01 -0.388496D+00  0.770084D-01 -0.503447D+00  0.238732D+01
      3  -0.388496D+00  0.292379D+01 -0.331697D+01  0.238732D+01  0.253449D+01
                46            47            48            49            50 
      1   0.425841D+02  0.796463D+01  0.617840D+01  0.101258D+02  0.218642D+01
      2   0.796463D+01  0.131572D+01  0.156395D+01  0.218642D+01  0.101921D+01
      3   0.617840D+01  0.156395D+01  0.123739D+01  0.220810D+01  0.320579D+00
                51            52            53            54            55 
      1   0.220810D+01  0.540446D+01  0.203053D+01  0.223871D+01 -0.355054D+02
      2   0.320579D+00  0.203053D+01  0.534193D+00 -0.801178D+00 -0.621539D+01
      3  -0.917399D+00  0.223871D+01 -0.801178D+00 -0.175407D+01 -0.582233D+01
                56            57            58            59            60 
      1  -0.621539D+01 -0.582233D+01 -0.136610D+02 -0.654696D+01 -0.158474D+01
      2  -0.255293D+01 -0.121570D+01 -0.654696D+01 -0.408074D+01 -0.217750D+01
      3  -0.121570D+01 -0.296833D+01 -0.158474D+01 -0.217750D+01 -0.903639D+00
                61            62            63            64            65 
      1  -0.196746D+02 -0.327042D+01 -0.607072D+01 -0.646733D+01  0.136572D+01
      2  -0.327042D+01 -0.162523D+01 -0.159945D+01  0.136572D+01  0.584636D+00
      3  -0.607072D+01 -0.159945D+01 -0.457209D+01 -0.312143D+01  0.386504D+01
                66            67            68            69            70 
      1  -0.312143D+01  0.140181D+01 -0.352641D+00  0.381895D+01 -0.700474D+01
      2   0.386504D+01 -0.352641D+00  0.249835D+01  0.315876D+01  0.391335D+01
      3  -0.808750D-01  0.381895D+01  0.315876D+01 -0.115152D+01 -0.122789D+01
                71            72            73            74            75 
      1   0.391335D+01 -0.122789D+01 -0.597441D+01 -0.177281D+01 -0.140333D+01
      2   0.300228D+01 -0.502968D+00 -0.177281D+01  0.151584D+01 -0.421342D+00
      3  -0.502968D+00  0.145862D+01 -0.140333D+01 -0.421342D+00  0.267657D+01
                76            77            78            79            80 
      1  -0.190240D+01  0.236971D+01 -0.739581D+00  0.164012D+00 -0.185148D+00
      2   0.236971D+01  0.559562D+01  0.242372D+01 -0.185148D+00  0.195020D+01
      3  -0.739581D+00  0.242372D+01 -0.177751D+01  0.253500D+01 -0.224446D+01
                81            82            83            84            85 
      1   0.253500D+01  0.611395D+01  0.242491D+01  0.987111D+00  0.548811D+01
      2  -0.224446D+01  0.242491D+01  0.451784D+01  0.257942D+01  0.632877D+01
      3  -0.252733D+01  0.987111D+00  0.257942D+01 -0.316045D+01  0.172907D+01
                86            87            88            89            90 
      1   0.632877D+01  0.172907D+01  0.725317D+01  0.475234D+01 -0.337542D+01
      2  -0.110381D+01  0.354809D+00  0.475234D+01  0.488253D+00 -0.430879D-01
      3   0.354809D+00  0.773909D-01 -0.337542D+01 -0.430879D-01  0.369436D+00
                91            92            93            94            95 
      1   0.872356D+01  0.985823D+00 -0.279090D+01  0.215427D+01 -0.138019D+01
      2   0.985823D+00 -0.216462D+01 -0.680298D-01 -0.138019D+01 -0.394973D+01
      3  -0.279090D+01 -0.680298D-01 -0.269213D+01 -0.463229D+00 -0.134233D+01
                96            97            98            99           100 
      1  -0.463229D+00 -0.653551D+00 -0.294039D+00 -0.297924D+01  0.108310D+02
      2  -0.134233D+01 -0.294039D+00 -0.676272D+00  0.193603D+01  0.252461D+01
      3   0.218775D+01 -0.297924D+01  0.193603D+01  0.569100D+00  0.228994D+01
               101           102           103           104           105 
      1   0.252461D+01  0.228994D+01  0.121889D+01  0.150454D+01  0.284746D+00
      2   0.201341D+01  0.620436D+00  0.150454D+01  0.640453D+00  0.195050D+00
      3   0.620436D+00  0.144932D+01  0.284746D+00  0.195050D+00  0.374190D+00
               106           107           108           109           110 
      1   0.624158D+00  0.210453D+00  0.108000D+01 -0.286140D+00  0.529774D+00
      2   0.210453D+00 -0.128302D+00  0.612693D+00  0.529774D+00 -0.964741D+00
      3   0.108000D+01  0.612693D+00  0.100958D+01  0.984953D+00 -0.397187D+00
               111           112           113           114           115 
      1   0.984953D+00  0.274280D+00 -0.193083D+00  0.608994D-01  0.110604D+01
      2  -0.397187D+00 -0.193083D+00  0.692910D+00  0.101612D+01  0.545616D-01
      3  -0.205714D+01  0.608994D-01  0.101612D+01  0.139730D+01 -0.200800D+00
               116           117           118           119           120 
      1   0.545616D-01 -0.200800D+00 -0.317454D+00 -0.450629D+00 -0.674376D+00
      2   0.194817D+01  0.206969D+01 -0.450629D+00  0.289255D+00 -0.148628D+00
      3   0.206969D+01  0.733654D+01 -0.674376D+00 -0.148628D+00 -0.118102D+00
               121           122           123           124           125 
      1  -0.198157D+01  0.419936D+00 -0.336134D-01 -0.121794D+01  0.638269D-01
      2   0.419936D+00 -0.759287D+00 -0.115572D+01  0.638269D-01 -0.127432D+01
      3  -0.336134D-01 -0.115572D+01 -0.165083D+01  0.435803D+00 -0.112288D+01
               126           127           128           129           130 
      1   0.435803D+00 -0.202377D+01  0.160759D+01 -0.779270D-01  0.364852D+00
      2  -0.112288D+01  0.160759D+01 -0.411567D+01 -0.257370D+00 -0.190465D+01
      3  -0.673201D+01 -0.779270D-01 -0.257370D+00 -0.290525D+00 -0.281285D+00
               131           132           133           134           135 
      1  -0.190465D+01 -0.281285D+00  0.177632D+00 -0.577395D+00  0.200559D+00
      2   0.795472D+01  0.637613D-01 -0.577395D+00  0.141777D+01  0.112824D+01
      3   0.637613D-01  0.932897D+00  0.200559D+00  0.112824D+01  0.289507D+00
               136           137           138           139           140 
      1   0.298883D+01  0.150646D+01 -0.194445D+01 -0.221154D+00  0.795417D+00
      2   0.150646D+01  0.150750D+01 -0.141917D+01  0.795417D+00  0.210442D+01
      3  -0.194445D+01 -0.141917D+01  0.246091D+01 -0.101647D+01 -0.147500D+01
               141           142           143           144           145 
      1  -0.101647D+01 -0.435594D+01 -0.238610D+01  0.279883D+01  0.524541D+01
      2  -0.147500D+01 -0.238610D+01 -0.280756D+01  0.234580D+01 -0.231582D+01
      3   0.125015D+01  0.279883D+01  0.234580D+01 -0.452052D+01  0.314459D+01
               146           147           148           149           150 
      1  -0.231582D+01  0.314459D+01 -0.132988D+01  0.150557D+01 -0.131262D+01
      2   0.243894D+01 -0.211732D+01  0.150557D+01 -0.231489D+01  0.138023D+01
      3  -0.211732D+01  0.325549D+01 -0.131262D+01  0.138023D+01 -0.123045D+01
               151           152           153           154           155 
      1   0.226464D+01 -0.162755D+01  0.233439D+01 -0.131419D+01 -0.141755D+01
      2  -0.162755D+01  0.138590D+01 -0.180132D+01 -0.141755D+01 -0.244145D+01
      3   0.233439D+01 -0.180132D+01  0.367817D+01  0.105531D+00 -0.405355D+00
               156           157           158           159           160 
      1   0.105531D+00 -0.124088D+01 -0.139451D+01 -0.415194D+00 -0.475377D+00
      2  -0.405355D+00 -0.139451D+01 -0.652183D+01 -0.439022D+00 -0.704380D+00
      3  -0.552784D+00 -0.415194D+00 -0.439022D+00 -0.114749D+01 -0.292294D+00
               161           162           163           164           165 
      1  -0.704380D+00 -0.292294D+00 -0.376371D+01  0.781412D+00  0.183241D+01
      2  -0.250857D+01 -0.779096D+00  0.781412D+00 -0.112244D+01 -0.269395D+00
      3  -0.779096D+00 -0.858038D+00  0.183241D+01 -0.269395D+00 -0.245502D+01
               166           167           168           169           170 
      1   0.195230D+01 -0.106331D+01 -0.622998D+00  0.161351D+01 -0.552977D+00
      2  -0.106331D+01  0.802033D+00  0.270949D+00 -0.552977D+00  0.646677D+00
      3  -0.622998D+00  0.270949D+00  0.163102D+01 -0.203448D+01  0.348740D+00
               171           172           173           174           175 
      1  -0.203448D+01 -0.394908D+00 -0.651753D+00 -0.497665D-01 -0.140485D+01
      2   0.348740D+00 -0.651753D+00 -0.191635D+01 -0.117771D+01  0.378847D+00
      3   0.387094D+01 -0.497665D-01 -0.117771D+01 -0.110994D+01 -0.556806D-01
               176           177           178           179           180 
      1   0.378847D+00 -0.556806D-01 -0.206442D+00 -0.212005D+00  0.261274D+00
      2  -0.584400D+01 -0.276352D+01 -0.212005D+00 -0.271172D+01 -0.202581D+01
      3  -0.276352D+01 -0.212676D+01  0.261274D+00 -0.202581D+01 -0.253444D+01
               181           182           183           184           185 
      1   0.837618D+01 -0.284396D+01  0.162724D+01 -0.222550D+01  0.204867D+01
      2  -0.284396D+01  0.178275D+01 -0.801702D+00  0.204867D+01 -0.185357D+01
      3   0.162724D+01 -0.801702D+00  0.143433D+01 -0.749301D+00  0.202895D+00
               186           187           188           189           190 
      1  -0.749301D+00  0.532129D+01 -0.186101D+01  0.170432D+01  0.274451D+01
      2   0.202895D+00 -0.186101D+01  0.115384D+01 -0.632297D+00  0.733364D+00
      3  -0.449810D+00  0.170432D+01 -0.632297D+00  0.152715D+01 -0.131858D+01
               191           192           193           194           195 
      1   0.733364D+00 -0.131858D+01  0.208811D+01  0.743047D+00 -0.174942D+01
      2   0.596947D+00 -0.928538D+00  0.743047D+00  0.205411D+01 -0.163369D+01
      3  -0.928538D+00  0.150658D+01 -0.174942D+01 -0.163369D+01  0.244664D+01
               196           197           198           199           200 
      1  -0.178426D+01 -0.977277D+00  0.236110D+01  0.113532D+01  0.769754D+00
      2  -0.977277D+00 -0.176475D+01  0.137952D+01  0.769754D+00  0.909978D-01
      3   0.236110D+01  0.137952D+01 -0.427649D+01  0.123386D+01 -0.109596D+00
               201           202           203           204           205 
      1   0.123386D+01  0.158760D+01 -0.961473D+00  0.294237D+00  0.178323D+01
      2  -0.109596D+00 -0.961473D+00  0.608915D+00  0.103687D+01  0.419691D+00
      3  -0.481280D+00  0.294237D+00  0.103687D+01  0.159298D+01 -0.324168D+00
               206           207           208           209           210 
      1   0.419691D+00 -0.324168D+00 -0.783538D+00 -0.528803D+00 -0.918370D+00
      2   0.146045D+01  0.153035D+01 -0.528803D+00 -0.596403D-01 -0.878073D-02
      3   0.153035D+01  0.437064D+01 -0.918370D+00 -0.878073D-02  0.143853D+00
               211           212           213           214           215 
      1  -0.929353D+00  0.166892D+00 -0.459426D+00 -0.164592D+01 -0.323197D+00
      2   0.166892D+00 -0.114079D+01 -0.139966D+01 -0.323197D+00 -0.167045D+01
      3  -0.459426D+00 -0.139966D+01 -0.244632D+01 -0.255998D+00 -0.208824D+01
               216           217           218           219           220 
      1  -0.255998D+00 -0.830285D+00  0.610229D+00  0.198981D+00  0.207749D+01
      2  -0.208824D+01  0.610229D+00  0.111423D+01  0.313492D+00 -0.162227D+00
      3  -0.675418D+01  0.198981D+00  0.313492D+00  0.100256D+01 -0.686470D+00
               221           222           223           224           225 
      1  -0.162227D+00 -0.686470D+00  0.949541D+00  0.115216D+00  0.122266D+00
      2   0.699197D+01  0.165914D+01  0.115216D+00  0.541182D+00  0.727500D+00
      3   0.165914D+01  0.182040D+01  0.122266D+00  0.727500D+00  0.734583D+00
               226           227           228           229           230 
      1   0.601911D+00 -0.930496D+00  0.931118D+00 -0.121595D+01  0.610831D+00
      2  -0.930496D+00  0.112333D+01 -0.405963D+00  0.610831D+00 -0.105372D+01
      3   0.931118D+00 -0.405963D+00  0.264514D+01 -0.138104D+00  0.153281D+01
               231           232           233           234           235 
      1  -0.138104D+00  0.259605D+01 -0.433943D+00  0.629767D+00 -0.968560D+01
      2   0.153281D+01 -0.433943D+00  0.143253D+01 -0.136112D+01  0.185267D+00
      3  -0.246051D+01  0.629767D+00 -0.136112D+01  0.487613D+01  0.316667D+01
               236           237           238           239           240 
      1   0.185267D+00  0.316667D+01 -0.636150D+00 -0.910178D+00  0.265168D+00
      2  -0.114070D+01 -0.677217D-01 -0.910178D+00  0.200614D+00  0.497882D+00
      3  -0.677217D-01 -0.213895D+01  0.265168D+00  0.497882D+00 -0.490868D+00
               241           242           243 
      1   0.197033D+01  0.184221D-01 -0.137829D+01
      2   0.184221D-01  0.297102D+00 -0.216650D+00
      3  -0.137829D+01 -0.216650D+00  0.113022D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.594274D+01  0.915853D+01  0.531561D+01  0.857376D+01  0.886747D+01
      2  -0.812189D+01  0.239235D+01  0.736847D+01  0.665063D+01  0.272943D+00
      3  -0.277644D+01 -0.760438D+01  0.180992D+01 -0.377576D+00 -0.664180D+01
                 6             7             8             9            10 
      1  -0.209745D+01  0.562147D+01  0.458484D+01 -0.482038D+01  0.414484D+01
      2  -0.691640D+01  0.340899D+01 -0.718990D+01 -0.234407D+01  0.179615D+02
      3  -0.893293D+01  0.798244D+00 -0.105225D+02  0.911224D+00  0.964669D+01
                11            12            13            14            15 
      1  -0.486458D+01 -0.344648D-01 -0.612816D+01 -0.577512D+01 -0.514250D+01
      2  -0.785070D+01  0.486673D+01 -0.106358D+02 -0.318764D+01  0.621167D+00
      3  -0.233361D+01  0.734134D+01  0.688968D+01  0.119486D+02  0.883738D+01
                16            17            18            19            20 
      1   0.169413D+01  0.412952D+01 -0.391305D+00  0.201212D+01  0.264618D+01
      2   0.415450D+01  0.147152D+01  0.283029D+01 -0.271700D+02 -0.157151D+01
      3   0.964113D+01  0.959758D+01 -0.771704D+00 -0.158287D+02 -0.390393D+01
                21            22            23            24            25 
      1  -0.130190D+01  0.668322D+01  0.377364D+01 -0.247766D+01 -0.352919D+01
      2  -0.297374D+00  0.399909D+00 -0.671185D+01  0.406464D+01 -0.158198D+02
      3  -0.327225D+01  0.713943D+01 -0.539769D+01  0.264764D+01 -0.342369D+01
                26            27            28            29            30 
      1   0.392672D+01 -0.381717D+01 -0.818768D+01  0.665486D+00 -0.600416D+00
      2   0.232888D+01 -0.225809D-01  0.307717D+02  0.528149D+01 -0.104728D+01
      3   0.262103D+00 -0.175809D+01  0.168292D+02  0.738944D+01  0.148768D+00
                31            32            33            34            35 
      1   0.474749D+01 -0.153542D+01 -0.291203D+01 -0.226437D+01  0.177338D+01
      2   0.127295D+02  0.343833D+01  0.791688D-01 -0.200847D+02 -0.209190D+01
      3   0.357461D+02  0.938927D+01  0.292767D+01 -0.647994D+00 -0.595558D+00
                36            37            38            39            40 
      1   0.316776D+01  0.806949D+01 -0.136815D+01  0.961636D+00 -0.578881D+01
      2  -0.306644D+00 -0.226428D+02 -0.500959D+01  0.356804D+01 -0.121220D+02
      3   0.491245D+00 -0.228737D+02 -0.110003D+02 -0.991653D+00 -0.360413D+01
                41            42            43            44            45 
      1   0.366340D+00 -0.930854D+00  0.730098D+01  0.175165D+01 -0.302100D+00
      2  -0.386939D+01 -0.497016D+01 -0.134513D+02 -0.608210D+01 -0.114139D+02
      3  -0.380156D+01  0.143938D+01  0.122845D+01  0.306544D+01  0.351000D+01
                46            47            48            49            50 
      1  -0.601420D+01  0.743464D+01 -0.114807D-02  0.359960D+01 -0.657080D+01
      2   0.684909D+01  0.509265D+01 -0.749679D+01  0.422845D+01 -0.441436D+00
      3   0.146401D+02  0.159995D+02  0.778072D+00  0.239949D+02  0.641922D+01
                51            52            53            54            55 
      1  -0.127752D+02  0.451391D+00 -0.293108D+01  0.915731D+01  0.366001D+01
      2  -0.252833D+01 -0.165186D+02 -0.499773D+00  0.471958D+01 -0.641066D+01
      3  -0.152865D+01 -0.209675D+00  0.145292D+01 -0.251573D+00 -0.116128D+02
                56            57            58            59            60 
      1  -0.117266D+01 -0.129109D+01  0.263703D+01  0.301852D+01  0.593321D-01
      2  -0.969722D+00  0.172864D+02 -0.489313D+01  0.270496D+01  0.689539D+01
      3  -0.187091D+02 -0.258500D+01 -0.139893D+02 -0.140958D+02 -0.467581D+01
                61            62            63            64            65 
      1   0.951129D+00  0.413936D+01 -0.311249D+01 -0.401455D+01  0.475912D+01
      2   0.221122D+01  0.277139D+01  0.142630D+02 -0.143491D+02  0.142114D+02
      3  -0.563205D+01 -0.949107D+01 -0.441528D+01  0.637368D+00 -0.557599D+01
                66            67            68            69            70 
      1  -0.488723D+01  0.664950D+01  0.204190D+01 -0.685908D+01 -0.710673D+01
      2  -0.126774D+01  0.133087D+02  0.112201D+02  0.985975D-01 -0.124427D+02
      3  -0.101000D+02  0.413337D+01 -0.943497D+01 -0.165198D+02 -0.109462D+02
                71            72            73            74            75 
      1  -0.116946D+01  0.359202D+01 -0.143950D+01  0.468823D+01 -0.544925D+01
      2   0.284757D+01  0.559813D+01  0.647138D+01  0.204042D+01  0.126234D+02
      3  -0.155861D+02  0.312422D+01 -0.223002D+01 -0.116036D+02  0.466901D+00
                76            77            78            79            80 
      1   0.179821D+01  0.249430D+01  0.426533D+01 -0.425274D+01  0.894955D+01
      2   0.415586D+00  0.397387D+01 -0.536288D+01  0.526847D+01 -0.710605D+01
      3  -0.555458D+01 -0.131069D+02 -0.905559D+01  0.159221D+01 -0.780374D+01
                81            82            83            84            85 
      1   0.299243D+00 -0.301659D+01 -0.113799D+02  0.790260D+01 -0.126188D+02
      2  -0.107471D+02  0.621548D+01  0.514406D+01 -0.290838D+01  0.743287D+01
      3   0.114095D+02  0.295482D+00 -0.875583D+01 -0.391391D+01  0.332945D+01
                86            87            88            89            90 
      1   0.687316D+00 -0.406782D+01  0.747640D+01  0.230102D+01  0.173079D+00
      2   0.593180D+01  0.183689D+01 -0.372390D+01  0.324845D+01 -0.244335D+01
      3   0.142968D+02  0.498174D+01 -0.739540D+00  0.961959D+01 -0.941665D+01
                91            92            93            94            95 
      1   0.191739D+01 -0.574322D+01  0.296827D+01  0.214898D+01 -0.640650D+01
      2   0.242861D+01 -0.114035D+01  0.174658D+02 -0.185259D+00  0.900461D+01
      3   0.623881D+01 -0.981729D+01 -0.167244D+01 -0.860190D+00 -0.147993D+02
                96            97            98            99           100 
      1  -0.877856D+01 -0.618994D+00  0.256239D+01  0.344435D+01 -0.858397D+00
      2  -0.928086D+01  0.857084D+01 -0.699193D+01  0.196511D+01 -0.407050D+01
      3  -0.524636D+01 -0.100903D+01 -0.647857D+00  0.507891D+01  0.689778D+01
               101           102           103           104           105 
      1   0.181960D+01 -0.197645D+01  0.450268D+00  0.795194D-01 -0.142932D+01
      2  -0.286999D+00  0.510117D+01 -0.611475D+00 -0.722210D+00  0.110119D+01
      3  -0.619245D+01  0.982986D+00 -0.608501D+00 -0.290684D-01  0.471442D+00
               106           107           108           109           110 
      1  -0.957280D+00 -0.300036D-01 -0.688904D+00 -0.762629D+00 -0.165114D+01
      2   0.101982D+01  0.128334D+01  0.221131D+01  0.420442D+01 -0.156342D+01
      3   0.393623D+00  0.485855D+00 -0.383794D+00 -0.228649D+01  0.243308D+01
               111           112           113           114           115 
      1   0.259559D+01 -0.706964D+00 -0.764660D+00 -0.182655D+01  0.662072D+00
      2  -0.627062D+01 -0.777165D+00  0.331187D+01  0.361795D+01 -0.561984D+01
      3   0.227849D+01  0.252710D+01 -0.154168D+01 -0.239741D+01  0.219623D+01
               116           117           118           119           120 
      1   0.196943D+01 -0.748285D+01  0.655389D+00  0.363431D+00  0.115579D+00
      2   0.524442D+01  0.203219D+02 -0.191205D+01 -0.573982D+00  0.370098D+00
      3  -0.431029D+01 -0.591100D+01  0.518613D+00 -0.107696D+01 -0.254764D+00
               121           122           123           124           125 
      1   0.976502D+00  0.197300D+01  0.726329D+00 -0.288171D+00  0.467159D+01
      2  -0.184140D+01 -0.576069D+00 -0.173094D+01 -0.417328D+01 -0.900330D+00
      3   0.157423D+01  0.492446D+00  0.848450D+00 -0.127676D+00  0.556573D+00
               126           127           128           129           130 
      1   0.297789D+01 -0.668757D+00  0.320233D+01  0.204589D+01  0.171219D+01
      2  -0.593842D+01 -0.130462D+01  0.361323D+00  0.401787D+00 -0.468719D+00
      3   0.136988D+01 -0.897072D+01  0.921808D+01  0.420051D+00  0.917021D+01
               131           132           133           134           135 
      1  -0.489759D+01 -0.476820D+01 -0.322307D-01 -0.221567D+01 -0.174443D+01
      2  -0.126363D+01  0.382633D+00 -0.676883D+00  0.134678D+01  0.569504D+00
      3  -0.173645D+02 -0.500931D+00  0.209137D+01 -0.385036D+01 -0.157209D+01
               136           137           138           139           140 
      1   0.322098D+01  0.140954D+01 -0.544345D+01  0.163814D+01  0.175443D+01
      2  -0.382316D+00 -0.148709D+01  0.443811D+01 -0.171074D+01 -0.201211D+01
      3   0.392296D+01 -0.190233D+01 -0.129166D+01  0.333398D+00 -0.279534D+01
               141           142           143           144           145 
      1  -0.252764D+01 -0.507810D+01 -0.679187D+00  0.918673D+01  0.171676D+01
      2   0.205904D+01 -0.833856D-01  0.256783D+01 -0.621423D+01 -0.297486D+01
      3   0.460014D+00 -0.395547D+01  0.152682D+01  0.127410D+01 -0.423861D+01
               146           147           148           149           150 
      1   0.827280D+00  0.313703D+01 -0.110331D+00 -0.127128D+01 -0.156325D+01
      2  -0.934258D+00  0.344816D+01  0.154606D+01  0.470867D+00 -0.247065D+00
      3  -0.274888D+01 -0.552825D+00  0.167884D+01  0.239351D+01  0.858259D-01
               151           152           153           154           155 
      1   0.132896D+01  0.703273D+00  0.405937D+01 -0.214853D+01 -0.458108D+01
      2  -0.236746D+01 -0.404595D+00  0.360647D+01  0.239459D+01  0.166880D+01
      3  -0.274426D+01 -0.270270D+00 -0.658256D+00  0.702275D+01  0.553910D+01
               156           157           158           159           160 
      1  -0.288409D+01 -0.315673D+01 -0.100685D+02 -0.520418D+01 -0.190638D+01
      2   0.148934D+00  0.139564D+01  0.266738D+01 -0.697614D-01 -0.929805D+00
      3   0.865177D+00  0.721906D+01  0.131660D+02  0.136729D+01  0.330470D+01
               161           162           163           164           165 
      1  -0.340182D+01 -0.384859D+01  0.634421D+01 -0.446724D+01 -0.429262D+01
      2   0.379802D+00 -0.288274D+00  0.123027D+02 -0.241627D+01 -0.533123D+01
      3   0.553163D+01  0.197763D+01  0.580519D+01 -0.957990D+00 -0.318225D+01
               166           167           168           169           170 
      1  -0.441368D+01  0.331314D+01  0.160510D+01 -0.464262D+01  0.369269D+01
      2  -0.576744D+01  0.232066D+01  0.320405D+01 -0.856864D+01  0.181260D+01
      3   0.139216D+00  0.648253D+00  0.113478D+01 -0.322812D+01  0.148985D+01
               171           172           173           174           175 
      1   0.662990D+01  0.510958D+00  0.488033D+00 -0.107726D+01  0.757466D-01
      2   0.833122D+01 -0.183324D+01 -0.447679D+01 -0.272999D+01 -0.259059D+01
      3   0.325781D+01  0.432196D+01  0.612447D+01  0.392349D+01  0.313120D+01
               176           177           178           179           180 
      1   0.220707D+01 -0.275259D+01  0.573577D+00  0.137709D+01 -0.250146D+01
      2  -0.957557D+01 -0.724094D+01 -0.115784D+01 -0.708266D+01 -0.793624D+01
      3   0.189214D+02  0.945976D+01  0.221665D+01  0.983271D+01  0.679258D+01
               181           182           183           184           185 
      1   0.441232D+01 -0.203685D+01  0.340375D+01 -0.240322D+01  0.126718D+01
      2   0.110489D+02 -0.490011D+01  0.900072D+01 -0.425604D+01  0.194044D+01
      3  -0.755912D+00 -0.544160D+01  0.815715D+00 -0.236202D+01  0.465327D+01
               186           187           188           189           190 
      1  -0.181272D+01  0.280099D+01 -0.250097D+00  0.276360D+01 -0.238952D+01
      2  -0.308575D+01  0.713728D+01 -0.300924D+01  0.749423D+01 -0.189093D+01
      3   0.308597D+00  0.151708D+01 -0.294132D+01  0.291542D+00 -0.408013D+01
               191           192           193           194           195 
      1  -0.224982D+01  0.253251D+01 -0.224017D+01 -0.597458D+01  0.354423D+01
      2  -0.230810D+01  0.488426D+01 -0.273913D+01 -0.513715D+01  0.732821D+01
      3  -0.379633D+01  0.445189D+01 -0.276784D+01 -0.904669D+01  0.696665D+01
               196           197           198           199           200 
      1   0.341444D+01  0.597661D+01 -0.579170D+01 -0.431298D-01 -0.340549D+00
      2   0.386484D+01  0.402006D+01 -0.124719D+02  0.395579D+00  0.270235D+00
      3   0.452170D+01  0.795047D+01 -0.671871D+01  0.583664D+00  0.582711D+00
               201           202           203           204           205 
      1   0.447697D+00 -0.408594D+01 -0.468397D+00 -0.217767D+01  0.141989D+01
      2  -0.184907D+00 -0.142610D+01 -0.138264D+01 -0.687763D+00 -0.292330D+01
      3   0.773857D+00  0.239196D+01 -0.115213D+00  0.761132D-01  0.190818D+01
               206           207           208           209           210 
      1   0.197006D+01 -0.336757D+01  0.888516D+00 -0.407972D+00  0.495254D-01
      2   0.178202D+00 -0.235375D+01  0.117185D+01 -0.169224D+00  0.242668D+00
      3   0.855324D+00 -0.392515D-01 -0.155756D+01 -0.551117D+00 -0.326442D+00
               211           212           213           214           215 
      1  -0.197280D+01  0.130727D+01 -0.181148D+00  0.741324D+00  0.407135D+01
      2  -0.169491D+00  0.288821D+01  0.437454D+01 -0.360402D+01  0.372824D+01
      3   0.321576D+01 -0.186863D+01 -0.266464D+01 -0.473143D+00 -0.332309D+01
               216           217           218           219           220 
      1  -0.122479D+00  0.816618D-01  0.228974D+01  0.316161D+00 -0.385374D+00
      2   0.119839D+02 -0.136804D+01 -0.244032D+01 -0.299601D+01 -0.582734D+00
      3  -0.441133D+01  0.239948D+01  0.404238D+01  0.127531D+01  0.202156D+01
               221           222           223           224           225 
      1   0.115056D+02  0.103531D+01  0.146180D+01  0.958352D+00  0.572102D+00
      2  -0.699262D+01 -0.501519D+01 -0.828954D+00 -0.241359D+01 -0.325413D+01
      3   0.242699D+02  0.555679D+01  0.149667D+01  0.160474D+01  0.249560D+01
               226           227           228           229           230 
      1  -0.899968D+00  0.253182D+01 -0.332434D+01  0.149825D+00 -0.306267D+01
      2  -0.677194D+01  0.342488D+01 -0.112546D+02  0.285080D+01 -0.731094D+01
      3  -0.247275D+01  0.256379D+01 -0.136483D+01  0.182252D+01 -0.311601D+01
               231           232           233           234           235 
      1   0.377564D+01 -0.210468D+01  0.403250D+01 -0.523205D+01 -0.124844D+01
      2   0.972292D+01 -0.696058D+01  0.588287D+01 -0.189272D+02  0.182218D+01
      3   0.542502D+01 -0.107954D+01  0.409088D+01 -0.427282D+01 -0.377814D+01
               236           237           238           239           240 
      1  -0.202075D+01  0.771852D+00 -0.664529D+00  0.647118D-01 -0.135661D+00
      2   0.285002D+00  0.597906D+01 -0.180873D+00 -0.962750D+00  0.174964D+01
      3  -0.609971D+01  0.110310D+01 -0.209599D+01  0.259318D+00  0.136366D+01
               241           242           243 
      1   0.584941D+00  0.131475D+01 -0.726860D+00
      2   0.611392D-01  0.957317D+00 -0.206884D+01
      3   0.131017D+01  0.141962D+01 -0.140371D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.799896D+01  0.436492D+01 -0.607341D+01  0.126253D+01  0.609248D+01
      2   0.258760D+01 -0.177712D+02 -0.563727D+01 -0.133119D+02 -0.161370D+02
      3  -0.105866D+02  0.134062D+02  0.117107D+02  0.120493D+02  0.100445D+02
      4   0.107459D+02 -0.430370D+01  0.214813D+02 -0.177222D+01  0.537669D+01
      5  -0.168756D+02  0.174210D+02 -0.133711D+02  0.163366D+02  0.424862D+01
      6   0.126009D+02 -0.119188D+02  0.116687D+02 -0.788877D+01 -0.392852D+01
                 6             7             8             9            10 
      1   0.194206D+02 -0.638434D+01  0.200338D+02 -0.219915D+01 -0.348332D+01
      2  -0.126067D+02 -0.697306D+01 -0.159607D+02  0.702900D+01  0.746011D+01
      3  -0.681389D+01  0.133574D+02 -0.407308D+01 -0.482985D+01 -0.397679D+01
      4  -0.565343D+01  0.222642D+02 -0.801945D+01  0.375498D+01 -0.143014D+02
      5   0.653818D+01 -0.127568D+02  0.869525D+01 -0.704949D+01  0.963728D+01
      6   0.452256D+01  0.100159D+02  0.365752D+01  0.604066D+00 -0.113689D+02
                11            12            13            14            15 
      1  -0.164519D+01  0.710184D+01 -0.441843D+01 -0.952639D+01 -0.186393D+02
      2   0.351945D+01  0.482543D+00  0.288730D+01  0.116935D+02  0.637810D+01
      3  -0.187426D+01 -0.758438D+01  0.153113D+01 -0.216709D+01  0.122612D+02
      4  -0.231596D+00 -0.191292D+02  0.299233D+01 -0.249247D+02 -0.517886D+01
      5  -0.155123D+02 -0.315161D+01 -0.167038D+02 -0.147939D+02  0.179545D+01
      6   0.751425D+01 -0.372733D+01 -0.187872D+01 -0.223878D+01 -0.652175D+01
                16            17            18            19            20 
      1   0.561928D+01 -0.181752D+02 -0.318584D+01  0.416601D+02  0.970308D+01
      2   0.649388D+01  0.910821D+01 -0.277807D+01 -0.397201D+02 -0.132822D+02
      3  -0.121132D+02  0.906697D+01  0.596391D+01 -0.193996D+01  0.357914D+01
      4  -0.285914D+02 -0.164343D+01 -0.382584D+00  0.857621D+01 -0.946464D+01
      5  -0.571815D+01  0.987451D+00  0.168854D+01  0.168166D+02  0.496606D+01
      6  -0.434878D+01 -0.392372D+01  0.130846D+01  0.105347D+02 -0.181396D+00
                21            22            23            24            25 
      1   0.359194D+01  0.179825D+02  0.677478D+01  0.694278D+01  0.574998D+00
      2  -0.348793D+01 -0.176796D+02 -0.121422D+02  0.246770D+01 -0.515699D+01
      3  -0.104016D+00 -0.302878D+00  0.536739D+01 -0.941048D+01  0.458199D+01
      4   0.565532D+01 -0.303538D+02 -0.574279D+01 -0.356967D+01  0.136264D+02
      5   0.476466D+01  0.497456D+01  0.517858D+01  0.332380D+01  0.346391D+01
      6   0.293156D+01  0.768852D+01  0.641138D+01  0.104605D+01  0.304135D+01
                26            27            28            29            30 
      1   0.837154D+01  0.138789D+02 -0.125509D+03 -0.124645D+02 -0.620890D+01
      2  -0.115164D+01  0.585113D+01  0.851883D+02  0.799290D+01  0.624392D+01
      3  -0.721990D+01 -0.197301D+02  0.403208D+02  0.447165D+01 -0.350205D-01
      4  -0.445510D+01  0.832456D+01 -0.149828D+02 -0.896626D+01 -0.588913D+00
      5   0.479975D+01  0.526460D+01 -0.374896D+02 -0.280318D+01 -0.123970D+02
      6  -0.518773D+00 -0.216204D+01 -0.179472D+02 -0.490524D+01 -0.595028D+00
                31            32            33            34            35 
      1  -0.361407D+02 -0.265913D+02  0.330868D+01 -0.320922D+02  0.248344D+00
      2   0.263551D+02  0.233793D+02 -0.245711D+01  0.189933D+02 -0.234973D+01
      3   0.978560D+01  0.321197D+01 -0.851570D+00  0.130989D+02  0.210139D+01
      4  -0.104030D+02 -0.106810D+02  0.150714D+01 -0.716552D+01  0.201360D+01
      5  -0.957548D+01 -0.519629D+01  0.126728D+00 -0.121353D+02  0.162167D+01
      6  -0.571749D+01 -0.874299D+01  0.391241D+01 -0.213807D+01  0.139186D+01
                36            37            38            39            40 
      1  -0.116876D+02  0.180213D+03  0.290721D+02  0.191858D+02  0.322369D+02
      2   0.251129D+01 -0.110495D+03 -0.178528D+02 -0.130354D+02 -0.162315D+02
      3   0.917630D+01 -0.697177D+02 -0.112193D+02 -0.615047D+01 -0.160054D+02
      4   0.527310D+00  0.333534D+02  0.167277D+02  0.800525D+00  0.326287D+02
      5   0.149729D+01  0.572040D+02  0.515950D+01  0.134264D+02  0.378216D+01
      6  -0.518404D+01  0.198136D+02  0.513241D+01  0.644170D+00  0.105029D+02
                41            42            43            44            45 
      1   0.668510D+01  0.850658D+01  0.991223D+01  0.790379D+01  0.129258D+02
      2   0.998820D+00  0.247696D+01 -0.123008D+02 -0.260518D+01 -0.243205D+01
      3  -0.768392D+01 -0.109835D+02  0.238859D+01 -0.529861D+01 -0.104938D+02
      4   0.790312D+01  0.330441D+01 -0.747581D+01 -0.346736D+01 -0.889733D+01
      5   0.354804D+01 -0.113017D+02  0.161019D+02 -0.781395D+01 -0.106531D+02
      6   0.146751D+01  0.431411D+01  0.125049D+00  0.947553D+00 -0.884489D+01
                46            47            48            49            50 
      1  -0.172879D+03 -0.312442D+02 -0.345743D+02 -0.532317D+02 -0.172813D+02
      2   0.957549D+02  0.140432D+02  0.190669D+02  0.278287D+02  0.117601D+02
      3   0.771245D+02  0.172010D+02  0.155073D+02  0.254030D+02  0.552120D+01
      4  -0.527007D+02 -0.271875D+02 -0.107916D+02 -0.113716D+02 -0.107629D+02
      5  -0.720884D+02 -0.147617D+02 -0.291127D+02 -0.259431D+02 -0.370268D+01
      6  -0.190442D+02 -0.343966D+01 -0.535865D+01 -0.261079D+00 -0.605119D+01
                51            52            53            54            55 
      1  -0.108715D+02 -0.446681D+02 -0.116004D+02 -0.173299D+02  0.186144D+03
      2   0.862917D+01  0.166644D+02  0.547400D+00  0.135008D+02 -0.979058D+02
      3   0.224236D+01  0.280038D+02  0.110530D+02  0.382915D+01 -0.882386D+02
      4  -0.198947D+01 -0.204262D+02 -0.131873D+01  0.297408D+01  0.465649D+02
      5   0.131441D+01 -0.229066D+02  0.370960D+01  0.114848D+02  0.687629D+02
      6   0.184741D+01  0.272165D+01 -0.389903D+01 -0.395505D+01  0.106430D+02
                56            57            58            59            60 
      1   0.310669D+02  0.369783D+02  0.584050D+02  0.285629D+02  0.571474D+01
      2  -0.117092D+02 -0.237629D+02 -0.258021D+02 -0.633149D+01 -0.133156D+01
      3  -0.193576D+02 -0.132154D+02 -0.326029D+02 -0.222314D+02 -0.438318D+01
      4   0.348726D+02  0.104128D+02  0.540788D+02  0.346359D+02  0.171352D+02
      5   0.125382D+02  0.407662D+02  0.202426D+02  0.188560D+02  0.108648D+02
      6   0.639797D+01  0.450202D+01  0.107154D+02  0.858453D+01  0.978244D+01
                61            62            63            64            65 
      1   0.881284D+02  0.119972D+02  0.277769D+02 -0.268325D+02  0.145685D+02
      2  -0.535666D+02 -0.502006D+01 -0.250708D+02  0.834491D+01 -0.463417D+01
      3  -0.345618D+02 -0.697713D+01 -0.270609D+01  0.184875D+02 -0.993431D+01
      4   0.228947D+02  0.150459D+02  0.120867D+02  0.157342D+02 -0.682851D+00
      5   0.653899D+02  0.142084D+02  0.422676D+02 -0.184699D+02  0.234011D+02
      6   0.105519D+02  0.102072D+02  0.538196D+01  0.102216D+02 -0.106344D+02
                66            67            68            69            70 
      1  -0.144700D+02  0.894412D+01  0.100610D+02  0.318392D+02 -0.233802D+02
      2  -0.986253D+00  0.113987D+01 -0.618894D+01 -0.243941D+02  0.113091D+01
      3   0.154563D+02 -0.100840D+02 -0.387209D+01 -0.744506D+01  0.222493D+02
      4   0.280182D+02 -0.517059D+01  0.947897D+01  0.102776D+02  0.339168D+02
      5  -0.309596D+00  0.238921D+02  0.151361D+02 -0.121921D+02 -0.312592D+01
      6  -0.463742D+01 -0.680037D+01 -0.113992D+02 -0.615996D+01 -0.326517D+01
                71            72            73            74            75 
      1   0.333903D+02 -0.478762D+01 -0.438791D+02 -0.161752D+02 -0.123749D+02
      2  -0.249586D+02  0.549839D+01  0.180391D+02  0.753470D+01 -0.258543D+01
      3  -0.843168D+01 -0.710766D+00  0.258400D+02  0.864048D+01  0.149603D+02
      4   0.744092D+01 -0.492754D+01 -0.217900D+02 -0.229291D+00 -0.325422D+01
      5  -0.899173D+01  0.924772D+01 -0.144800D+02 -0.383053D+01  0.949964D+01
      6  -0.658804D+01  0.362565D+00 -0.282943D+01 -0.233400D+01  0.812200D+01
                76            77            78            79            80 
      1  -0.146337D+02  0.728636D+01 -0.335327D+01 -0.382638D+01 -0.130915D+01
      2   0.110928D+02 -0.554824D+00  0.106416D+02 -0.511339D+01  0.725356D+01
      3   0.354088D+01 -0.673154D+01 -0.728833D+01  0.893977D+01 -0.594442D+01
      4   0.894654D+01  0.277911D+02  0.102940D+02 -0.110665D-01  0.329024D+01
      5  -0.530854D+01  0.171234D+02 -0.819788D+01  0.123355D+02 -0.777279D+01
      6   0.355134D+01  0.101003D+02 -0.979150D+00  0.660894D+01 -0.346046D+01
                81            82            83            84            85 
      1   0.218266D+02 -0.888908D+01 -0.114453D+02 -0.842120D+01 -0.139849D+02
      2  -0.482918D+01  0.145140D+02  0.274140D+02  0.101318D+02  0.255185D+02
      3  -0.169974D+02 -0.562490D+01 -0.159687D+02 -0.171057D+01 -0.115336D+02
      4  -0.364914D+01  0.642466D+01  0.941557D+01  0.896715D+01  0.197642D+02
      5  -0.691119D+01  0.564550D+00  0.879886D+01 -0.163510D+02  0.667196D+01
      6  -0.930606D+01  0.416353D+00  0.845946D+01 -0.147414D+02  0.171058D+01
                86            87            88            89            90 
      1   0.107327D+02  0.650701D+01 -0.233033D+02  0.740991D+01 -0.115516D+02
      2  -0.109213D+02 -0.571638D+01  0.237117D+02 -0.524418D+01  0.843010D+01
      3   0.188631D+00 -0.790623D+00 -0.408448D+00 -0.216572D+01  0.312145D+01
      4   0.118981D+02  0.536302D+01  0.155427D+02  0.116246D+02 -0.983890D+01
      5  -0.270853D+01 -0.452872D+00 -0.235188D+02 -0.595438D+01  0.554553D+01
      6  -0.482482D+01 -0.150053D+01 -0.185517D+02 -0.317912D+01  0.576950D+01
                91            92            93            94            95 
      1  -0.560710D+02 -0.344380D+01  0.320721D+02 -0.111782D+02  0.229359D+02
      2   0.343278D+02 -0.342251D+01 -0.943208D+01  0.364618D+01 -0.180690D+02
      3   0.217432D+02  0.686631D+01 -0.226400D+02  0.753206D+01 -0.486694D+01
      4  -0.223582D+01  0.145778D+02  0.762490D+00  0.988520D+01  0.229942D+02
      5   0.294637D+02  0.249038D+01  0.970217D+01  0.584661D+01  0.408367D+01
      6   0.198380D+01 -0.675965D+01  0.127405D+01 -0.436484D+01 -0.101347D+02
                96            97            98            99           100 
      1  -0.259478D+01  0.179305D+02 -0.450140D+01  0.152059D+02  0.791536D+02
      2  -0.988434D+01 -0.321621D+01 -0.338069D+01 -0.826708D+01 -0.381400D+02
      3   0.124791D+02 -0.147143D+02  0.788209D+01 -0.693877D+01 -0.410136D+02
      4   0.670212D+01  0.273509D+01  0.190097D+01 -0.122606D+02  0.346639D+02
      5  -0.116761D+02  0.141814D+02 -0.106155D+02 -0.103871D+02  0.243331D+02
      6  -0.370600D+01 -0.835393D+00  0.163126D+01  0.106054D+02  0.748261D+01
               101           102           103           104           105 
      1   0.146902D+02  0.128482D+02  0.710647D+01  0.752608D+01  0.107833D+01
      2  -0.368889D+01 -0.783304D+01 -0.335993D+00  0.158100D-01 -0.112119D+01
      3  -0.110013D+02 -0.501514D+01 -0.677048D+01 -0.754189D+01  0.428621D-01
      4   0.200565D+02  0.759495D+01  0.156945D+02  0.744036D+01  0.249536D+01
      5   0.638785D+01  0.143330D+02  0.327748D+01  0.196588D+01  0.243976D+01
      6   0.444896D+01  0.427332D+01  0.311342D+01  0.643332D+00  0.279357D+01
               106           107           108           109           110 
      1   0.369172D+01  0.904650D+00  0.493962D+01  0.133979D+00  0.566322D+01
      2  -0.307948D+01 -0.219915D+01 -0.449641D+01 -0.200821D+01 -0.332419D+01
      3  -0.612240D+00  0.129450D+01 -0.443201D+00  0.187423D+01 -0.233903D+01
      4   0.257127D+01  0.592852D-03  0.505668D+01  0.196593D+01 -0.181372D+01
      5   0.111674D+02  0.408262D+01  0.649562D+01  0.261459D+01 -0.361162D-01
      6   0.307356D+01  0.255802D+01  0.328272D+01  0.348528D+01 -0.336612D+01
               111           112           113           114           115 
      1   0.103581D+02  0.266549D+01 -0.727417D+01 -0.451489D+01  0.769963D+01
      2   0.117343D+00 -0.191303D+01  0.318071D+01  0.175386D+01 -0.339884D+01
      3  -0.104754D+02 -0.752464D+00  0.409346D+01  0.276102D+01 -0.430079D+01
      4   0.110521D+01  0.148727D+01  0.160980D+01  0.382469D+01  0.367150D+01
      5  -0.379643D+01  0.157386D+01  0.265536D+01  0.539301D+01  0.473828D+01
      6  -0.604177D+01 -0.759854D+00  0.568750D+01  0.100487D+02  0.430664D+00
               116           117           118           119           120 
      1  -0.727543D+01 -0.231011D+02  0.184747D+00 -0.346966D+00 -0.204926D+01
      2   0.144804D+01 -0.859910D+01 -0.375416D+01 -0.264161D-01 -0.134664D-01
      3   0.582739D+01  0.317002D+02  0.356941D+01  0.373382D+00  0.206273D+01
      4   0.815538D+01  0.754149D+01 -0.137739D+01  0.256475D+01  0.271033D+00
      5   0.881218D+01  0.282212D+02 -0.665267D+00  0.125234D+01  0.597590D+01
      6   0.113173D+02  0.216074D+02  0.127602D+01  0.198564D+00 -0.133859D-01
               121           122           123           124           125 
      1   0.797573D+00 -0.618548D+01 -0.522487D+01 -0.119978D+01 -0.274252D+01
      2  -0.495489D+00  0.173795D+01 -0.219569D+01  0.141406D+01 -0.239810D+01
      3  -0.302084D+00  0.444753D+01  0.742056D+01 -0.214278D+00  0.514062D+01
      4   0.228135D+01 -0.236342D+01 -0.221473D+01 -0.188706D-01 -0.289052D+01
      5   0.207538D+01 -0.236720D+01 -0.310762D+01  0.549834D+01 -0.246187D+01
      6  -0.277738D+00  0.224923D+01  0.646463D+01 -0.687849D+00  0.571844D+01
               126           127           128           129           130 
      1  -0.234758D+02 -0.749734D+01  0.185948D+02  0.741201D+00  0.106465D+02
      2  -0.122218D+02  0.975049D+01 -0.266105D+02 -0.147764D+01 -0.136585D+02
      3   0.356977D+02 -0.225315D+01  0.801579D+01  0.736439D+00  0.301203D+01
      4  -0.412359D+01 -0.520452D+01  0.215775D+01 -0.593736D+00  0.592383D+01
      5  -0.118308D+02  0.519953D+00 -0.830364D+00  0.152896D+01 -0.787689D+00
      6   0.219800D+01  0.314800D+00  0.135781D+00 -0.216129D+01  0.183387D+00
               131           132           133           134           135 
      1  -0.342859D+02 -0.515084D+00  0.363962D+01 -0.608237D+01 -0.403796D+01
      2   0.529819D+02  0.171074D+01 -0.340928D+01  0.941284D+01  0.509863D+01
      3  -0.186960D+02 -0.119566D+01 -0.230340D+00 -0.333046D+01 -0.106068D+01
      4   0.807618D+01 -0.477687D+00  0.333712D+00  0.124100D+01  0.203384D+01
      5   0.186301D+00  0.239907D+01  0.335429D+01  0.258494D+01  0.288171D-01
      6  -0.709705D+00  0.728054D+01  0.670326D+00  0.813026D+01  0.170589D+01
               136           137           138           139           140 
      1   0.110246D+02  0.115396D+01 -0.208118D+01  0.309469D+01 -0.512093D+01
      2  -0.491275D+01  0.184220D+01  0.779035D+00 -0.718908D+00  0.883602D+01
      3  -0.611188D+01 -0.299616D+01  0.130214D+01 -0.237578D+01 -0.371509D+01
      4   0.165285D+02  0.133452D+02 -0.111242D+02  0.965926D+01  0.108156D+02
      5  -0.165400D+02 -0.952481D+01  0.171136D+02 -0.551244D+01 -0.854111D+01
      6  -0.101298D+02 -0.880655D+01  0.117338D+02 -0.628352D+01 -0.974573D+01
               141           142           143           144           145 
      1   0.251629D+01 -0.979861D-01  0.611462D+01 -0.560215D+01  0.147744D+02
      2  -0.399998D+01 -0.793992D+00 -0.713388D+01 -0.253038D+01 -0.101536D+02
      3   0.148369D+01  0.891978D+00  0.101926D+01  0.813253D+01 -0.462077D+01
      4  -0.879223D+01 -0.165118D+02 -0.151701D+02  0.149121D+02 -0.239205D+02
      5   0.751719D+01  0.203076D+02  0.136170D+02 -0.247418D+02  0.259827D+02
      6   0.933801D+01  0.149438D+02  0.160390D+02 -0.222563D+02 -0.129631D+02
               146           147           148           149           150 
      1  -0.860373D+00  0.183079D+01 -0.101730D+01 -0.299551D+01  0.151736D+01
      2  -0.139866D+01 -0.594356D+01 -0.589640D+00  0.662918D+01 -0.100892D+01
      3   0.225903D+01  0.411277D+01  0.160694D+01 -0.363367D+01 -0.508445D+00
      4   0.182821D+02 -0.160137D+02  0.129206D+02 -0.133060D+02  0.980091D+01
      5  -0.136555D+02  0.231938D+02 -0.890031D+01  0.873246D+01 -0.829147D+01
      6   0.126589D+02 -0.141580D+02  0.869217D+01 -0.101708D+02  0.977161D+01
               151           152           153           154           155 
      1   0.388636D+01  0.175570D+01 -0.300764D+01 -0.620003D+01 -0.107557D+02
      2  -0.599418D+01  0.140120D+00 -0.758729D+01  0.758668D+01  0.165463D+02
      3   0.210782D+01 -0.189582D+01  0.105949D+02 -0.138665D+01 -0.579058D+01
      4  -0.136070D+02  0.103078D+02 -0.129806D+02  0.210469D+01  0.279914D+01
      5   0.195163D+02 -0.111087D+02  0.216660D+02 -0.114518D+01 -0.436287D+01
      6  -0.109057D+02  0.110284D+02 -0.155550D+02 -0.139904D+01 -0.166003D+01
               156           157           158           159           160 
      1   0.822524D+00 -0.664779D+01 -0.242101D+02 -0.148028D+01 -0.215858D+01
      2   0.230911D+01  0.100767D+02  0.401719D+02  0.549623D+01  0.361054D+01
      3  -0.313163D+01 -0.342895D+01 -0.159618D+02 -0.401595D+01 -0.145197D+01
      4  -0.116180D+01  0.475063D+01 -0.876935D+01  0.733024D+00  0.322394D+00
      5   0.825834D+00 -0.443717D+01 -0.480866D+01 -0.373160D+01  0.630523D+00
      6   0.189079D+01 -0.325021D+00 -0.578023D+01  0.606597D+01  0.319695D+00
               161           162           163           164           165 
      1  -0.927179D+01 -0.297976D+01 -0.643381D+01 -0.244766D+01  0.111081D+02
      2   0.149112D+02  0.444186D+01 -0.483337D+01  0.581267D+01  0.426078D+01
      3  -0.563944D+01 -0.146209D+01  0.112672D+02 -0.336501D+01 -0.153689D+02
      4  -0.349960D+01 -0.850187D+00  0.678138D+01 -0.142102D+01 -0.530916D+01
      5  -0.327583D+01 -0.223069D+01 -0.434384D+01 -0.614333D+00  0.277483D+01
      6   0.337476D+01  0.405948D+01 -0.170736D+01 -0.269781D+01  0.407859D+01
               166           167           168           169           170 
      1   0.131052D+01 -0.236022D+01 -0.685416D+01  0.884356D+01 -0.217264D+01
      2   0.393675D+01 -0.365664D+00 -0.202166D+01  0.389777D+01 -0.182674D+01
      3  -0.524727D+01  0.272589D+01  0.887582D+01 -0.127413D+02  0.399938D+01
      4  -0.288787D+01  0.304137D+01  0.150257D+01 -0.654817D+01  0.212953D+01
      5   0.393237D+00 -0.106523D+01  0.197764D+01  0.527771D+01 -0.129195D+01
      6  -0.225381D+01  0.336846D+01  0.652261D+00  0.174615D+01  0.368421D+01
               171           172           173           174           175 
      1  -0.146296D+02 -0.360210D+01 -0.120606D+02 -0.513773D+01 -0.924020D+01
      2  -0.873069D+01  0.330680D+01  0.994538D+01  0.270103D+01  0.389068D+01
      3   0.233603D+02  0.295306D+00  0.211519D+01  0.243670D+01  0.534951D+01
      4   0.449193D+01 -0.638341D+00 -0.426400D+01 -0.431106D+01  0.779095D+01
      5   0.190359D+01  0.230322D+01 -0.359867D+01 -0.293275D+01  0.235458D+01
      6  -0.590403D+01  0.151885D+01  0.662899D+01  0.537623D+01 -0.484923D+00
               176           177           178           179           180 
      1  -0.217098D+02 -0.131614D+02 -0.251451D+01 -0.139691D+02 -0.101555D+02
      2   0.256129D+02  0.948822D+01  0.203510D+01  0.100282D+02  0.330686D+01
      3  -0.390310D+01  0.367318D+01  0.479409D+00  0.394094D+01  0.684859D+01
      4  -0.280522D+02 -0.132257D+02  0.306571D+00 -0.130734D+02 -0.907904D+01
      5  -0.133079D+02 -0.105593D+02  0.432370D+01 -0.914954D+01 -0.129230D+02
      6   0.201435D+02  0.146983D+02  0.389710D-01  0.142838D+02  0.127643D+02
               181           182           183           184           185 
      1   0.678858D+02 -0.178253D+02  0.132305D+02 -0.161352D+02  0.855192D+01
      2  -0.274077D+02  0.305354D+01 -0.377333D+01  0.171151D+01  0.122644D+01
      3  -0.404781D+02  0.147717D+02 -0.945715D+01  0.144237D+02 -0.977837D+01
      4  -0.355756D+02  0.201426D+02 -0.845746D+01  0.213879D+02 -0.164508D+02
      5   0.815460D+01 -0.405869D+01  0.124019D+02 -0.389150D+01  0.129468D+01
      6  -0.341558D+01  0.138602D+01 -0.367698D+01  0.127715D+01  0.172285D+00
               186           187           188           189           190 
      1  -0.537240D+01  0.303200D+02 -0.970722D+01  0.107681D+02  0.181851D+02
      2   0.158942D+01 -0.105937D+02  0.193704D+01 -0.493352D+01 -0.129280D+02
      3   0.378298D+01 -0.197263D+02  0.777019D+01 -0.583457D+01 -0.525710D+01
      4   0.385379D+01 -0.200527D+02  0.118173D+02 -0.683057D+01  0.243326D+01
      5  -0.303340D+01  0.125145D+02 -0.394674D+01  0.118455D+02 -0.135962D+02
      6   0.360533D+01 -0.415067D+01  0.342418D+01 -0.490618D+01 -0.132310D+01
               191           192           193           194           195 
      1   0.453359D+01 -0.878919D+01  0.138594D+02  0.297792D+01 -0.875508D+01
      2  -0.456123D+01  0.993094D+01 -0.110469D+02 -0.479971D+01  0.123092D+02
      3   0.276379D-01 -0.114175D+01 -0.281250D+01  0.182178D+01 -0.355412D+01
      4   0.556408D+01 -0.563497D+01  0.546296D+01  0.135184D+02 -0.905837D+01
      5  -0.798047D+01  0.148241D+02 -0.149417D+02 -0.110005D+02  0.179648D+02
      6  -0.294157D+00  0.176355D+00 -0.257147D+00 -0.379248D+01  0.293373D+01
               196           197           198           199           200 
      1  -0.112791D+02 -0.608497D+01  0.747445D+01  0.202845D+00 -0.160779D+01
      2   0.133908D+02  0.938451D+01 -0.180918D+02  0.116825D+01  0.140126D+01
      3  -0.211165D+01 -0.329954D+01  0.106174D+02 -0.137109D+01  0.206536D+00
      4  -0.547148D+01 -0.101738D+02  0.711715D+01 -0.106906D+01  0.129138D+01
      5   0.209697D+02  0.105375D+02 -0.311546D+02 -0.360583D+01  0.923129D+00
      6  -0.426226D+00  0.486265D+01  0.519292D+00  0.616910D+00  0.200254D-01
               201           202           203           204           205 
      1  -0.223691D+01 -0.200586D+01 -0.751230D+00 -0.458608D+01 -0.358408D+01
      2   0.176948D+01 -0.151916D+01  0.858098D+00  0.230767D+01  0.286570D+01
      3   0.467431D+00  0.352502D+01 -0.106867D+00  0.227841D+01  0.718378D+00
      4   0.177008D+01  0.881580D+00 -0.764597D+00 -0.216107D+01  0.227839D+01
      5   0.390534D+01  0.466978D+00 -0.580066D+00 -0.217410D+01  0.367527D+01
      6  -0.287225D+00 -0.683912D+00  0.340716D+01  0.327780D+01  0.752970D-01
               206           207           208           209           210 
      1  -0.519527D+01 -0.813179D+01 -0.540394D+00  0.136177D+01  0.328189D+01
      2   0.403416D+01  0.132021D+01 -0.180851D+01 -0.676329D+00 -0.888694D+00
      3   0.116110D+01  0.681158D+01  0.234890D+01 -0.685440D+00 -0.239320D+01
      4  -0.218237D+01 -0.400043D+01  0.156338D+01  0.177156D+01  0.175240D+01
      5  -0.328803D+01 -0.695591D+01  0.306124D+01  0.203793D+01  0.561207D+01
      6   0.438418D+01  0.658106D+01  0.209930D+01 -0.174557D+00  0.429902D+00
               211           212           213           214           215 
      1   0.224918D+01 -0.645805D+01 -0.794907D+01  0.328509D+01 -0.753960D+01
      2  -0.333459D+01  0.159382D+01 -0.553891D+00 -0.270546D+01  0.914911D+00
      3   0.108541D+01  0.486423D+01  0.850296D+01 -0.579629D+00  0.662469D+01
      4  -0.604836D+00  0.322510D+01  0.381857D+01  0.243704D+01  0.446994D+01
      5   0.333295D+01  0.462317D+01  0.861023D+01  0.472719D+01  0.662767D+01
      6  -0.761221D+00  0.531943D+01  0.653773D+01  0.159065D+01  0.795720D+01
               216           217           218           219           220 
      1  -0.234861D+02  0.272609D+01 -0.808914D+01 -0.576937D+01 -0.103722D+02
      2  -0.636607D+01  0.224811D+00  0.642468D+01  0.143178D+01  0.541014D+01
      3   0.298522D+02 -0.295090D+01  0.166446D+01  0.433759D+01  0.496210D+01
      4   0.549649D+01 -0.276305D+01 -0.325499D+01 -0.144659D+01  0.615102D+01
      5   0.217482D+02 -0.873580D+00  0.160704D+00 -0.398700D+01  0.725418D+01
      6   0.942096D+01  0.182584D+01  0.363920D+01  0.176897D+01 -0.141640D+01
               221           222           223           224           225 
      1  -0.204586D+02 -0.387305D+01 -0.432593D+01 -0.291838D+01 -0.658505D+01
      2   0.273506D+02  0.229811D+01  0.203308D+01  0.249120D+00  0.244512D+01
      3  -0.689199D+01  0.157494D+01  0.229284D+01  0.266926D+01  0.413993D+01
      4  -0.421567D+02 -0.105265D+02 -0.103049D+01 -0.299143D+01 -0.396566D+01
      5  -0.810732D+01 -0.112513D+02  0.663934D+00 -0.378547D+01 -0.348704D+01
      6   0.194142D+02  0.980618D+01 -0.980598D-01  0.660180D+01  0.258641D+01
               226           227           228           229           230 
      1  -0.542339D+01  0.628784D+01 -0.156258D+02  0.790518D+01 -0.112674D+02
      2  -0.567892D+00 -0.115369D+01 -0.339437D+00 -0.361389D+01  0.410115D+01
      3   0.599129D+01 -0.513415D+01  0.159652D+02 -0.429129D+01  0.716623D+01
      4   0.390748D+01 -0.540843D+01  0.131503D+01 -0.167667D+01  0.472174D+01
      5  -0.187324D+00 -0.254402D+00 -0.928912D+01 -0.307134D+01 -0.620981D+01
      6  -0.279567D+01  0.445109D+01 -0.252656D+01  0.205689D+01 -0.561468D+01
               231           232           233           234           235 
      1   0.879424D+01 -0.160729D+02  0.722458D+01 -0.220619D+02  0.815840D+02
      2   0.327807D+01  0.555162D+01  0.150987D+01 -0.725454D+01 -0.459339D+02
      3  -0.120723D+02  0.105213D+02 -0.873445D+01  0.293165D+02 -0.356501D+02
      4  -0.792877D+01  0.306734D+01 -0.809030D+01  0.708623D+01 -0.738130D+01
      5   0.122430D+02  0.206997D+01  0.562966D+01 -0.223133D+02 -0.433824D+02
      6   0.845707D+01 -0.189136D+01  0.672450D+01 -0.627059D+01  0.897283D-01
               236           237           238           239           240 
      1  -0.772395D+00 -0.217722D+02  0.560184D+01  0.605706D+01 -0.116462D+01
      2  -0.356630D+00  0.161882D+02 -0.336651D+01 -0.215386D+01  0.199456D+01
      3   0.112903D+01  0.558402D+01 -0.223533D+01 -0.390320D+01 -0.829944D+00
      4   0.120075D+02  0.205607D+01  0.100264D+02 -0.114489D+01 -0.416072D+01
      5   0.432888D+00  0.248582D+02 -0.340223D+01 -0.524320D+01  0.346140D+01
      6  -0.389923D+01 -0.945399D+00 -0.340177D+01  0.310968D+00  0.251915D+01
               241           242           243 
      1  -0.124275D+02  0.426969D+00  0.932776D+01
      2   0.107256D+02  0.585516D+00 -0.911664D+01
      3   0.170191D+01 -0.101249D+01 -0.211118D+00
      4   0.942487D+00 -0.246228D+01  0.382678D+00
      5   0.177277D+02  0.950181D+00 -0.125917D+02
      6  -0.124755D+01  0.199329D+01 -0.267220D+00
 Leave Link  716 at Fri Aug 13 12:05:07 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.168473D+03  0.740742D+01  0.567528D+01
      2   0.740742D+01  0.108348D+03  0.414604D+01
      3   0.567528D+01  0.414604D+01  0.110808D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.907417D+01  0.854064D+01 -0.282814D+01
      2   0.123379D+02 -0.108732D+02  0.160917D+02
      3   0.301811D+02 -0.420585D+02  0.187894D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.720381D+02 -0.448390D+02 -0.260988D+02
      2   0.606731D+02  0.390804D+02 -0.195894D+01
      3   0.113650D+02  0.575853D+01  0.280577D+02
      4  -0.442861D+02  0.948899D+02 -0.392981D+02
      5  -0.248217D+02 -0.445663D+02  0.231733D+02
      6  -0.237431D+02  0.131363D+02 -0.107044D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.220362D+01  0.139185D+01 -0.411175D+01  0.704398D+00  0.967496D+00
      2   0.139185D+01  0.906458D+00  0.370025D+01  0.967496D+00  0.301031D+01
      3  -0.411175D+01  0.370025D+01 -0.535484D+00  0.365781D+01  0.138131D+01
                 6             7             8             9            10 
      1   0.365781D+01 -0.459299D+01  0.376749D+01 -0.345810D+00  0.189480D+02
      2   0.138131D+01  0.376749D+01  0.184736D+01 -0.387842D+00 -0.233780D+01
      3  -0.101423D+01 -0.345810D+00 -0.387842D+00 -0.167587D+01  0.510168D+01
                11            12            13            14            15 
      1  -0.233780D+01  0.510168D+01 -0.564224D+01  0.126049D+01 -0.414110D+01
      2  -0.864383D-01 -0.334979D+01  0.126049D+01 -0.444003D+01 -0.212588D+01
      3  -0.334979D+01  0.293408D+00 -0.414110D+01 -0.212588D+01  0.168366D+00
                16            17            18            19            20 
      1   0.162437D+02 -0.421998D+01  0.184811D+01 -0.398444D+02 -0.196583D+01
      2  -0.421998D+01 -0.223616D+01  0.172955D+00 -0.196583D+01 -0.377626D+01
      3   0.184811D+01  0.172955D+00  0.904243D+00 -0.450781D+01  0.105877D+01
                21            22            23            24            25 
      1  -0.450781D+01  0.360869D+01 -0.834309D+01  0.278864D+01 -0.749644D+01
      2   0.105877D+01 -0.834309D+01 -0.211096D+01 -0.741790D+00  0.228540D+01
      3  -0.611400D+00  0.278864D+01 -0.741790D+00  0.284152D+01 -0.971836D+00
                26            27            28            29            30 
      1   0.228540D+01 -0.971836D+00  0.598148D+02  0.617075D+01  0.541879D+01
      2  -0.617577D+00  0.270642D+01  0.617075D+01  0.320423D+01 -0.153786D-02
      3   0.270642D+01  0.357355D+01  0.541879D+01 -0.153786D-02  0.212482D+01
                31            32            33            34            35 
      1   0.123582D+02  0.771133D+01 -0.805456D+00  0.998784D+01 -0.828689D-01
      2   0.771133D+01  0.405417D+01  0.147728D+00 -0.828689D-01  0.418455D+00
      3  -0.805456D+00  0.147728D+00 -0.187706D+01  0.422377D+01 -0.173885D+01
                36            37            38            39            40 
      1   0.422377D+01 -0.587128D+02 -0.812131D+01 -0.646026D+01 -0.130140D+02
      2  -0.173885D+01 -0.812131D+01 -0.266087D+01 -0.130522D+00 -0.578567D+01
      3  -0.202788D+01 -0.646026D+01 -0.130522D+00 -0.977945D+00  0.147075D+00
                41            42            43            44            45 
      1  -0.578567D+01  0.147075D+00 -0.835141D+01  0.770084D-01 -0.331697D+01
      2  -0.305446D+01 -0.388496D+00  0.770084D-01 -0.503447D+00  0.238732D+01
      3  -0.388496D+00  0.292379D+01 -0.331697D+01  0.238732D+01  0.253449D+01
                46            47            48            49            50 
      1   0.425841D+02  0.796463D+01  0.617840D+01  0.101258D+02  0.218642D+01
      2   0.796463D+01  0.131572D+01  0.156395D+01  0.218642D+01  0.101921D+01
      3   0.617840D+01  0.156395D+01  0.123739D+01  0.220810D+01  0.320579D+00
                51            52            53            54            55 
      1   0.220810D+01  0.540446D+01  0.203053D+01  0.223871D+01 -0.355054D+02
      2   0.320579D+00  0.203053D+01  0.534193D+00 -0.801178D+00 -0.621539D+01
      3  -0.917399D+00  0.223871D+01 -0.801178D+00 -0.175407D+01 -0.582233D+01
                56            57            58            59            60 
      1  -0.621539D+01 -0.582233D+01 -0.136610D+02 -0.654696D+01 -0.158474D+01
      2  -0.255293D+01 -0.121570D+01 -0.654696D+01 -0.408074D+01 -0.217750D+01
      3  -0.121570D+01 -0.296833D+01 -0.158474D+01 -0.217750D+01 -0.903639D+00
                61            62            63            64            65 
      1  -0.196746D+02 -0.327042D+01 -0.607072D+01 -0.646733D+01  0.136572D+01
      2  -0.327042D+01 -0.162523D+01 -0.159945D+01  0.136572D+01  0.584636D+00
      3  -0.607072D+01 -0.159945D+01 -0.457209D+01 -0.312143D+01  0.386504D+01
                66            67            68            69            70 
      1  -0.312143D+01  0.140181D+01 -0.352641D+00  0.381895D+01 -0.700474D+01
      2   0.386504D+01 -0.352641D+00  0.249835D+01  0.315876D+01  0.391335D+01
      3  -0.808750D-01  0.381895D+01  0.315876D+01 -0.115152D+01 -0.122789D+01
                71            72            73            74            75 
      1   0.391335D+01 -0.122789D+01 -0.597441D+01 -0.177281D+01 -0.140333D+01
      2   0.300228D+01 -0.502968D+00 -0.177281D+01  0.151584D+01 -0.421342D+00
      3  -0.502968D+00  0.145862D+01 -0.140333D+01 -0.421342D+00  0.267657D+01
                76            77            78            79            80 
      1  -0.190240D+01  0.236971D+01 -0.739581D+00  0.164012D+00 -0.185148D+00
      2   0.236971D+01  0.559562D+01  0.242372D+01 -0.185148D+00  0.195020D+01
      3  -0.739581D+00  0.242372D+01 -0.177751D+01  0.253500D+01 -0.224446D+01
                81            82            83            84            85 
      1   0.253500D+01  0.611395D+01  0.242491D+01  0.987111D+00  0.548811D+01
      2  -0.224446D+01  0.242491D+01  0.451784D+01  0.257942D+01  0.632877D+01
      3  -0.252733D+01  0.987111D+00  0.257942D+01 -0.316045D+01  0.172907D+01
                86            87            88            89            90 
      1   0.632877D+01  0.172907D+01  0.725317D+01  0.475234D+01 -0.337542D+01
      2  -0.110381D+01  0.354809D+00  0.475234D+01  0.488253D+00 -0.430879D-01
      3   0.354809D+00  0.773909D-01 -0.337542D+01 -0.430879D-01  0.369436D+00
                91            92            93            94            95 
      1   0.872356D+01  0.985823D+00 -0.279090D+01  0.215427D+01 -0.138019D+01
      2   0.985823D+00 -0.216462D+01 -0.680298D-01 -0.138019D+01 -0.394973D+01
      3  -0.279090D+01 -0.680298D-01 -0.269213D+01 -0.463229D+00 -0.134233D+01
                96            97            98            99           100 
      1  -0.463229D+00 -0.653551D+00 -0.294039D+00 -0.297924D+01  0.108310D+02
      2  -0.134233D+01 -0.294039D+00 -0.676272D+00  0.193603D+01  0.252461D+01
      3   0.218775D+01 -0.297924D+01  0.193603D+01  0.569100D+00  0.228994D+01
               101           102           103           104           105 
      1   0.252461D+01  0.228994D+01  0.121889D+01  0.150454D+01  0.284746D+00
      2   0.201341D+01  0.620436D+00  0.150454D+01  0.640453D+00  0.195050D+00
      3   0.620436D+00  0.144932D+01  0.284746D+00  0.195050D+00  0.374190D+00
               106           107           108           109           110 
      1   0.624158D+00  0.210453D+00  0.108000D+01 -0.286140D+00  0.529774D+00
      2   0.210453D+00 -0.128302D+00  0.612693D+00  0.529774D+00 -0.964741D+00
      3   0.108000D+01  0.612693D+00  0.100958D+01  0.984953D+00 -0.397187D+00
               111           112           113           114           115 
      1   0.984953D+00  0.274280D+00 -0.193083D+00  0.608994D-01  0.110604D+01
      2  -0.397187D+00 -0.193083D+00  0.692910D+00  0.101612D+01  0.545616D-01
      3  -0.205714D+01  0.608994D-01  0.101612D+01  0.139730D+01 -0.200800D+00
               116           117           118           119           120 
      1   0.545616D-01 -0.200800D+00 -0.317454D+00 -0.450629D+00 -0.674376D+00
      2   0.194817D+01  0.206969D+01 -0.450629D+00  0.289255D+00 -0.148628D+00
      3   0.206969D+01  0.733654D+01 -0.674376D+00 -0.148628D+00 -0.118102D+00
               121           122           123           124           125 
      1  -0.198157D+01  0.419936D+00 -0.336134D-01 -0.121794D+01  0.638269D-01
      2   0.419936D+00 -0.759287D+00 -0.115572D+01  0.638269D-01 -0.127432D+01
      3  -0.336134D-01 -0.115572D+01 -0.165083D+01  0.435803D+00 -0.112288D+01
               126           127           128           129           130 
      1   0.435803D+00 -0.202377D+01  0.160759D+01 -0.779270D-01  0.364852D+00
      2  -0.112288D+01  0.160759D+01 -0.411567D+01 -0.257370D+00 -0.190465D+01
      3  -0.673201D+01 -0.779270D-01 -0.257370D+00 -0.290525D+00 -0.281285D+00
               131           132           133           134           135 
      1  -0.190465D+01 -0.281285D+00  0.177632D+00 -0.577395D+00  0.200559D+00
      2   0.795472D+01  0.637613D-01 -0.577395D+00  0.141777D+01  0.112824D+01
      3   0.637613D-01  0.932897D+00  0.200559D+00  0.112824D+01  0.289507D+00
               136           137           138           139           140 
      1   0.298883D+01  0.150646D+01 -0.194445D+01 -0.221154D+00  0.795417D+00
      2   0.150646D+01  0.150750D+01 -0.141917D+01  0.795417D+00  0.210442D+01
      3  -0.194445D+01 -0.141917D+01  0.246091D+01 -0.101647D+01 -0.147500D+01
               141           142           143           144           145 
      1  -0.101647D+01 -0.435594D+01 -0.238610D+01  0.279883D+01  0.524541D+01
      2  -0.147500D+01 -0.238610D+01 -0.280756D+01  0.234580D+01 -0.231582D+01
      3   0.125015D+01  0.279883D+01  0.234580D+01 -0.452052D+01  0.314459D+01
               146           147           148           149           150 
      1  -0.231582D+01  0.314459D+01 -0.132988D+01  0.150557D+01 -0.131262D+01
      2   0.243894D+01 -0.211732D+01  0.150557D+01 -0.231489D+01  0.138023D+01
      3  -0.211732D+01  0.325549D+01 -0.131262D+01  0.138023D+01 -0.123045D+01
               151           152           153           154           155 
      1   0.226464D+01 -0.162755D+01  0.233439D+01 -0.131419D+01 -0.141755D+01
      2  -0.162755D+01  0.138590D+01 -0.180132D+01 -0.141755D+01 -0.244145D+01
      3   0.233439D+01 -0.180132D+01  0.367817D+01  0.105531D+00 -0.405355D+00
               156           157           158           159           160 
      1   0.105531D+00 -0.124088D+01 -0.139451D+01 -0.415194D+00 -0.475377D+00
      2  -0.405355D+00 -0.139451D+01 -0.652183D+01 -0.439022D+00 -0.704380D+00
      3  -0.552784D+00 -0.415194D+00 -0.439022D+00 -0.114749D+01 -0.292294D+00
               161           162           163           164           165 
      1  -0.704380D+00 -0.292294D+00 -0.376371D+01  0.781412D+00  0.183241D+01
      2  -0.250857D+01 -0.779096D+00  0.781412D+00 -0.112244D+01 -0.269395D+00
      3  -0.779096D+00 -0.858038D+00  0.183241D+01 -0.269395D+00 -0.245502D+01
               166           167           168           169           170 
      1   0.195230D+01 -0.106331D+01 -0.622998D+00  0.161351D+01 -0.552977D+00
      2  -0.106331D+01  0.802033D+00  0.270949D+00 -0.552977D+00  0.646677D+00
      3  -0.622998D+00  0.270949D+00  0.163102D+01 -0.203448D+01  0.348740D+00
               171           172           173           174           175 
      1  -0.203448D+01 -0.394908D+00 -0.651753D+00 -0.497665D-01 -0.140485D+01
      2   0.348740D+00 -0.651753D+00 -0.191635D+01 -0.117771D+01  0.378847D+00
      3   0.387094D+01 -0.497665D-01 -0.117771D+01 -0.110994D+01 -0.556806D-01
               176           177           178           179           180 
      1   0.378847D+00 -0.556806D-01 -0.206442D+00 -0.212005D+00  0.261274D+00
      2  -0.584400D+01 -0.276352D+01 -0.212005D+00 -0.271172D+01 -0.202581D+01
      3  -0.276352D+01 -0.212676D+01  0.261274D+00 -0.202581D+01 -0.253444D+01
               181           182           183           184           185 
      1   0.837618D+01 -0.284396D+01  0.162724D+01 -0.222550D+01  0.204867D+01
      2  -0.284396D+01  0.178275D+01 -0.801702D+00  0.204867D+01 -0.185357D+01
      3   0.162724D+01 -0.801702D+00  0.143433D+01 -0.749301D+00  0.202895D+00
               186           187           188           189           190 
      1  -0.749301D+00  0.532129D+01 -0.186101D+01  0.170432D+01  0.274451D+01
      2   0.202895D+00 -0.186101D+01  0.115384D+01 -0.632297D+00  0.733364D+00
      3  -0.449810D+00  0.170432D+01 -0.632297D+00  0.152715D+01 -0.131858D+01
               191           192           193           194           195 
      1   0.733364D+00 -0.131858D+01  0.208811D+01  0.743047D+00 -0.174942D+01
      2   0.596947D+00 -0.928538D+00  0.743047D+00  0.205411D+01 -0.163369D+01
      3  -0.928538D+00  0.150658D+01 -0.174942D+01 -0.163369D+01  0.244664D+01
               196           197           198           199           200 
      1  -0.178426D+01 -0.977277D+00  0.236110D+01  0.113532D+01  0.769754D+00
      2  -0.977277D+00 -0.176475D+01  0.137952D+01  0.769754D+00  0.909978D-01
      3   0.236110D+01  0.137952D+01 -0.427649D+01  0.123386D+01 -0.109596D+00
               201           202           203           204           205 
      1   0.123386D+01  0.158760D+01 -0.961473D+00  0.294237D+00  0.178323D+01
      2  -0.109596D+00 -0.961473D+00  0.608915D+00  0.103687D+01  0.419691D+00
      3  -0.481280D+00  0.294237D+00  0.103687D+01  0.159298D+01 -0.324168D+00
               206           207           208           209           210 
      1   0.419691D+00 -0.324168D+00 -0.783538D+00 -0.528803D+00 -0.918370D+00
      2   0.146045D+01  0.153035D+01 -0.528803D+00 -0.596403D-01 -0.878073D-02
      3   0.153035D+01  0.437064D+01 -0.918370D+00 -0.878073D-02  0.143853D+00
               211           212           213           214           215 
      1  -0.929353D+00  0.166892D+00 -0.459426D+00 -0.164592D+01 -0.323197D+00
      2   0.166892D+00 -0.114079D+01 -0.139966D+01 -0.323197D+00 -0.167045D+01
      3  -0.459426D+00 -0.139966D+01 -0.244632D+01 -0.255998D+00 -0.208824D+01
               216           217           218           219           220 
      1  -0.255998D+00 -0.830285D+00  0.610229D+00  0.198981D+00  0.207749D+01
      2  -0.208824D+01  0.610229D+00  0.111423D+01  0.313492D+00 -0.162227D+00
      3  -0.675418D+01  0.198981D+00  0.313492D+00  0.100256D+01 -0.686470D+00
               221           222           223           224           225 
      1  -0.162227D+00 -0.686470D+00  0.949541D+00  0.115216D+00  0.122266D+00
      2   0.699197D+01  0.165914D+01  0.115216D+00  0.541182D+00  0.727500D+00
      3   0.165914D+01  0.182040D+01  0.122266D+00  0.727500D+00  0.734583D+00
               226           227           228           229           230 
      1   0.601911D+00 -0.930496D+00  0.931118D+00 -0.121595D+01  0.610831D+00
      2  -0.930496D+00  0.112333D+01 -0.405963D+00  0.610831D+00 -0.105372D+01
      3   0.931118D+00 -0.405963D+00  0.264514D+01 -0.138104D+00  0.153281D+01
               231           232           233           234           235 
      1  -0.138104D+00  0.259605D+01 -0.433943D+00  0.629767D+00 -0.968560D+01
      2   0.153281D+01 -0.433943D+00  0.143253D+01 -0.136112D+01  0.185267D+00
      3  -0.246051D+01  0.629767D+00 -0.136112D+01  0.487613D+01  0.316667D+01
               236           237           238           239           240 
      1   0.185267D+00  0.316667D+01 -0.636150D+00 -0.910178D+00  0.265168D+00
      2  -0.114070D+01 -0.677217D-01 -0.910178D+00  0.200614D+00  0.497882D+00
      3  -0.677217D-01 -0.213895D+01  0.265168D+00  0.497882D+00 -0.490868D+00
               241           242           243 
      1   0.197033D+01  0.184221D-01 -0.137829D+01
      2   0.184221D-01  0.297102D+00 -0.216650D+00
      3  -0.137829D+01 -0.216650D+00  0.113022D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.594274D+01  0.915853D+01  0.531561D+01  0.857376D+01  0.886747D+01
      2  -0.812189D+01  0.239235D+01  0.736847D+01  0.665063D+01  0.272943D+00
      3  -0.277644D+01 -0.760438D+01  0.180992D+01 -0.377576D+00 -0.664180D+01
                 6             7             8             9            10 
      1  -0.209745D+01  0.562147D+01  0.458484D+01 -0.482038D+01  0.414484D+01
      2  -0.691640D+01  0.340899D+01 -0.718990D+01 -0.234407D+01  0.179615D+02
      3  -0.893293D+01  0.798244D+00 -0.105225D+02  0.911224D+00  0.964669D+01
                11            12            13            14            15 
      1  -0.486458D+01 -0.344648D-01 -0.612816D+01 -0.577512D+01 -0.514250D+01
      2  -0.785070D+01  0.486673D+01 -0.106358D+02 -0.318764D+01  0.621167D+00
      3  -0.233361D+01  0.734134D+01  0.688968D+01  0.119486D+02  0.883738D+01
                16            17            18            19            20 
      1   0.169413D+01  0.412952D+01 -0.391305D+00  0.201212D+01  0.264618D+01
      2   0.415450D+01  0.147152D+01  0.283029D+01 -0.271700D+02 -0.157151D+01
      3   0.964113D+01  0.959758D+01 -0.771704D+00 -0.158287D+02 -0.390393D+01
                21            22            23            24            25 
      1  -0.130190D+01  0.668322D+01  0.377364D+01 -0.247766D+01 -0.352919D+01
      2  -0.297374D+00  0.399909D+00 -0.671185D+01  0.406464D+01 -0.158198D+02
      3  -0.327225D+01  0.713943D+01 -0.539769D+01  0.264764D+01 -0.342369D+01
                26            27            28            29            30 
      1   0.392672D+01 -0.381717D+01 -0.818768D+01  0.665486D+00 -0.600416D+00
      2   0.232888D+01 -0.225809D-01  0.307717D+02  0.528149D+01 -0.104728D+01
      3   0.262103D+00 -0.175809D+01  0.168292D+02  0.738944D+01  0.148768D+00
                31            32            33            34            35 
      1   0.474749D+01 -0.153542D+01 -0.291203D+01 -0.226437D+01  0.177338D+01
      2   0.127295D+02  0.343833D+01  0.791688D-01 -0.200847D+02 -0.209190D+01
      3   0.357461D+02  0.938927D+01  0.292767D+01 -0.647994D+00 -0.595558D+00
                36            37            38            39            40 
      1   0.316776D+01  0.806949D+01 -0.136815D+01  0.961636D+00 -0.578881D+01
      2  -0.306644D+00 -0.226428D+02 -0.500959D+01  0.356804D+01 -0.121220D+02
      3   0.491245D+00 -0.228737D+02 -0.110003D+02 -0.991653D+00 -0.360413D+01
                41            42            43            44            45 
      1   0.366340D+00 -0.930854D+00  0.730098D+01  0.175165D+01 -0.302100D+00
      2  -0.386939D+01 -0.497016D+01 -0.134513D+02 -0.608210D+01 -0.114139D+02
      3  -0.380156D+01  0.143938D+01  0.122845D+01  0.306544D+01  0.351000D+01
                46            47            48            49            50 
      1  -0.601420D+01  0.743464D+01 -0.114807D-02  0.359960D+01 -0.657080D+01
      2   0.684909D+01  0.509265D+01 -0.749679D+01  0.422845D+01 -0.441436D+00
      3   0.146401D+02  0.159995D+02  0.778072D+00  0.239949D+02  0.641922D+01
                51            52            53            54            55 
      1  -0.127752D+02  0.451391D+00 -0.293108D+01  0.915731D+01  0.366001D+01
      2  -0.252833D+01 -0.165186D+02 -0.499773D+00  0.471958D+01 -0.641066D+01
      3  -0.152865D+01 -0.209675D+00  0.145292D+01 -0.251573D+00 -0.116128D+02
                56            57            58            59            60 
      1  -0.117266D+01 -0.129109D+01  0.263703D+01  0.301852D+01  0.593321D-01
      2  -0.969722D+00  0.172864D+02 -0.489313D+01  0.270496D+01  0.689539D+01
      3  -0.187091D+02 -0.258500D+01 -0.139893D+02 -0.140958D+02 -0.467581D+01
                61            62            63            64            65 
      1   0.951129D+00  0.413936D+01 -0.311249D+01 -0.401455D+01  0.475912D+01
      2   0.221122D+01  0.277139D+01  0.142630D+02 -0.143491D+02  0.142114D+02
      3  -0.563205D+01 -0.949107D+01 -0.441528D+01  0.637368D+00 -0.557599D+01
                66            67            68            69            70 
      1  -0.488723D+01  0.664950D+01  0.204190D+01 -0.685908D+01 -0.710673D+01
      2  -0.126774D+01  0.133087D+02  0.112201D+02  0.985975D-01 -0.124427D+02
      3  -0.101000D+02  0.413337D+01 -0.943497D+01 -0.165198D+02 -0.109462D+02
                71            72            73            74            75 
      1  -0.116946D+01  0.359202D+01 -0.143950D+01  0.468823D+01 -0.544925D+01
      2   0.284757D+01  0.559813D+01  0.647138D+01  0.204042D+01  0.126234D+02
      3  -0.155861D+02  0.312422D+01 -0.223002D+01 -0.116036D+02  0.466901D+00
                76            77            78            79            80 
      1   0.179821D+01  0.249430D+01  0.426533D+01 -0.425274D+01  0.894955D+01
      2   0.415586D+00  0.397387D+01 -0.536288D+01  0.526847D+01 -0.710605D+01
      3  -0.555458D+01 -0.131069D+02 -0.905559D+01  0.159221D+01 -0.780374D+01
                81            82            83            84            85 
      1   0.299243D+00 -0.301659D+01 -0.113799D+02  0.790260D+01 -0.126188D+02
      2  -0.107471D+02  0.621548D+01  0.514406D+01 -0.290838D+01  0.743287D+01
      3   0.114095D+02  0.295482D+00 -0.875583D+01 -0.391391D+01  0.332945D+01
                86            87            88            89            90 
      1   0.687316D+00 -0.406782D+01  0.747640D+01  0.230102D+01  0.173079D+00
      2   0.593180D+01  0.183689D+01 -0.372390D+01  0.324845D+01 -0.244335D+01
      3   0.142968D+02  0.498174D+01 -0.739540D+00  0.961959D+01 -0.941665D+01
                91            92            93            94            95 
      1   0.191739D+01 -0.574322D+01  0.296827D+01  0.214898D+01 -0.640650D+01
      2   0.242861D+01 -0.114035D+01  0.174658D+02 -0.185259D+00  0.900461D+01
      3   0.623881D+01 -0.981729D+01 -0.167244D+01 -0.860190D+00 -0.147993D+02
                96            97            98            99           100 
      1  -0.877856D+01 -0.618994D+00  0.256239D+01  0.344435D+01 -0.858397D+00
      2  -0.928086D+01  0.857084D+01 -0.699193D+01  0.196511D+01 -0.407050D+01
      3  -0.524636D+01 -0.100903D+01 -0.647857D+00  0.507891D+01  0.689778D+01
               101           102           103           104           105 
      1   0.181960D+01 -0.197645D+01  0.450268D+00  0.795194D-01 -0.142932D+01
      2  -0.286999D+00  0.510117D+01 -0.611475D+00 -0.722210D+00  0.110119D+01
      3  -0.619245D+01  0.982986D+00 -0.608501D+00 -0.290684D-01  0.471442D+00
               106           107           108           109           110 
      1  -0.957280D+00 -0.300036D-01 -0.688904D+00 -0.762629D+00 -0.165114D+01
      2   0.101982D+01  0.128334D+01  0.221131D+01  0.420442D+01 -0.156342D+01
      3   0.393623D+00  0.485855D+00 -0.383794D+00 -0.228649D+01  0.243308D+01
               111           112           113           114           115 
      1   0.259559D+01 -0.706964D+00 -0.764660D+00 -0.182655D+01  0.662072D+00
      2  -0.627062D+01 -0.777165D+00  0.331187D+01  0.361795D+01 -0.561984D+01
      3   0.227849D+01  0.252710D+01 -0.154168D+01 -0.239741D+01  0.219623D+01
               116           117           118           119           120 
      1   0.196943D+01 -0.748285D+01  0.655389D+00  0.363431D+00  0.115579D+00
      2   0.524442D+01  0.203219D+02 -0.191205D+01 -0.573982D+00  0.370098D+00
      3  -0.431029D+01 -0.591100D+01  0.518613D+00 -0.107696D+01 -0.254764D+00
               121           122           123           124           125 
      1   0.976502D+00  0.197300D+01  0.726329D+00 -0.288171D+00  0.467159D+01
      2  -0.184140D+01 -0.576069D+00 -0.173094D+01 -0.417328D+01 -0.900330D+00
      3   0.157423D+01  0.492446D+00  0.848450D+00 -0.127676D+00  0.556573D+00
               126           127           128           129           130 
      1   0.297789D+01 -0.668757D+00  0.320233D+01  0.204589D+01  0.171219D+01
      2  -0.593842D+01 -0.130462D+01  0.361323D+00  0.401787D+00 -0.468719D+00
      3   0.136988D+01 -0.897072D+01  0.921808D+01  0.420051D+00  0.917021D+01
               131           132           133           134           135 
      1  -0.489759D+01 -0.476820D+01 -0.322307D-01 -0.221567D+01 -0.174443D+01
      2  -0.126363D+01  0.382633D+00 -0.676883D+00  0.134678D+01  0.569504D+00
      3  -0.173645D+02 -0.500931D+00  0.209137D+01 -0.385036D+01 -0.157209D+01
               136           137           138           139           140 
      1   0.322098D+01  0.140954D+01 -0.544345D+01  0.163814D+01  0.175443D+01
      2  -0.382316D+00 -0.148709D+01  0.443811D+01 -0.171074D+01 -0.201211D+01
      3   0.392296D+01 -0.190233D+01 -0.129166D+01  0.333398D+00 -0.279534D+01
               141           142           143           144           145 
      1  -0.252764D+01 -0.507810D+01 -0.679187D+00  0.918673D+01  0.171676D+01
      2   0.205904D+01 -0.833856D-01  0.256783D+01 -0.621423D+01 -0.297486D+01
      3   0.460014D+00 -0.395547D+01  0.152682D+01  0.127410D+01 -0.423861D+01
               146           147           148           149           150 
      1   0.827280D+00  0.313703D+01 -0.110331D+00 -0.127128D+01 -0.156325D+01
      2  -0.934258D+00  0.344816D+01  0.154606D+01  0.470867D+00 -0.247065D+00
      3  -0.274888D+01 -0.552825D+00  0.167884D+01  0.239351D+01  0.858259D-01
               151           152           153           154           155 
      1   0.132896D+01  0.703273D+00  0.405937D+01 -0.214853D+01 -0.458108D+01
      2  -0.236746D+01 -0.404595D+00  0.360647D+01  0.239459D+01  0.166880D+01
      3  -0.274426D+01 -0.270270D+00 -0.658256D+00  0.702275D+01  0.553910D+01
               156           157           158           159           160 
      1  -0.288409D+01 -0.315673D+01 -0.100685D+02 -0.520418D+01 -0.190638D+01
      2   0.148934D+00  0.139564D+01  0.266738D+01 -0.697614D-01 -0.929805D+00
      3   0.865177D+00  0.721906D+01  0.131660D+02  0.136729D+01  0.330470D+01
               161           162           163           164           165 
      1  -0.340182D+01 -0.384859D+01  0.634421D+01 -0.446724D+01 -0.429262D+01
      2   0.379802D+00 -0.288274D+00  0.123027D+02 -0.241627D+01 -0.533123D+01
      3   0.553163D+01  0.197763D+01  0.580519D+01 -0.957990D+00 -0.318225D+01
               166           167           168           169           170 
      1  -0.441368D+01  0.331314D+01  0.160510D+01 -0.464262D+01  0.369269D+01
      2  -0.576744D+01  0.232066D+01  0.320405D+01 -0.856864D+01  0.181260D+01
      3   0.139216D+00  0.648253D+00  0.113478D+01 -0.322812D+01  0.148985D+01
               171           172           173           174           175 
      1   0.662990D+01  0.510958D+00  0.488033D+00 -0.107726D+01  0.757466D-01
      2   0.833122D+01 -0.183324D+01 -0.447679D+01 -0.272999D+01 -0.259059D+01
      3   0.325781D+01  0.432196D+01  0.612447D+01  0.392349D+01  0.313120D+01
               176           177           178           179           180 
      1   0.220707D+01 -0.275259D+01  0.573577D+00  0.137709D+01 -0.250146D+01
      2  -0.957557D+01 -0.724094D+01 -0.115784D+01 -0.708266D+01 -0.793624D+01
      3   0.189214D+02  0.945976D+01  0.221665D+01  0.983271D+01  0.679258D+01
               181           182           183           184           185 
      1   0.441232D+01 -0.203685D+01  0.340375D+01 -0.240322D+01  0.126718D+01
      2   0.110489D+02 -0.490011D+01  0.900072D+01 -0.425604D+01  0.194044D+01
      3  -0.755912D+00 -0.544160D+01  0.815715D+00 -0.236202D+01  0.465327D+01
               186           187           188           189           190 
      1  -0.181272D+01  0.280099D+01 -0.250097D+00  0.276360D+01 -0.238952D+01
      2  -0.308575D+01  0.713728D+01 -0.300924D+01  0.749423D+01 -0.189093D+01
      3   0.308597D+00  0.151708D+01 -0.294132D+01  0.291542D+00 -0.408013D+01
               191           192           193           194           195 
      1  -0.224982D+01  0.253251D+01 -0.224017D+01 -0.597458D+01  0.354423D+01
      2  -0.230810D+01  0.488426D+01 -0.273913D+01 -0.513715D+01  0.732821D+01
      3  -0.379633D+01  0.445189D+01 -0.276784D+01 -0.904669D+01  0.696665D+01
               196           197           198           199           200 
      1   0.341444D+01  0.597661D+01 -0.579170D+01 -0.431298D-01 -0.340549D+00
      2   0.386484D+01  0.402006D+01 -0.124719D+02  0.395579D+00  0.270235D+00
      3   0.452170D+01  0.795047D+01 -0.671871D+01  0.583664D+00  0.582711D+00
               201           202           203           204           205 
      1   0.447697D+00 -0.408594D+01 -0.468397D+00 -0.217767D+01  0.141989D+01
      2  -0.184907D+00 -0.142610D+01 -0.138264D+01 -0.687763D+00 -0.292330D+01
      3   0.773857D+00  0.239196D+01 -0.115213D+00  0.761132D-01  0.190818D+01
               206           207           208           209           210 
      1   0.197006D+01 -0.336757D+01  0.888516D+00 -0.407972D+00  0.495254D-01
      2   0.178202D+00 -0.235375D+01  0.117185D+01 -0.169224D+00  0.242668D+00
      3   0.855324D+00 -0.392515D-01 -0.155756D+01 -0.551117D+00 -0.326442D+00
               211           212           213           214           215 
      1  -0.197280D+01  0.130727D+01 -0.181148D+00  0.741324D+00  0.407135D+01
      2  -0.169491D+00  0.288821D+01  0.437454D+01 -0.360402D+01  0.372824D+01
      3   0.321576D+01 -0.186863D+01 -0.266464D+01 -0.473143D+00 -0.332309D+01
               216           217           218           219           220 
      1  -0.122479D+00  0.816618D-01  0.228974D+01  0.316161D+00 -0.385374D+00
      2   0.119839D+02 -0.136804D+01 -0.244032D+01 -0.299601D+01 -0.582734D+00
      3  -0.441133D+01  0.239948D+01  0.404238D+01  0.127531D+01  0.202156D+01
               221           222           223           224           225 
      1   0.115056D+02  0.103531D+01  0.146180D+01  0.958352D+00  0.572102D+00
      2  -0.699262D+01 -0.501519D+01 -0.828954D+00 -0.241359D+01 -0.325413D+01
      3   0.242699D+02  0.555679D+01  0.149667D+01  0.160474D+01  0.249560D+01
               226           227           228           229           230 
      1  -0.899968D+00  0.253182D+01 -0.332434D+01  0.149825D+00 -0.306267D+01
      2  -0.677194D+01  0.342488D+01 -0.112546D+02  0.285080D+01 -0.731094D+01
      3  -0.247275D+01  0.256379D+01 -0.136483D+01  0.182252D+01 -0.311601D+01
               231           232           233           234           235 
      1   0.377564D+01 -0.210468D+01  0.403250D+01 -0.523205D+01 -0.124844D+01
      2   0.972292D+01 -0.696058D+01  0.588287D+01 -0.189272D+02  0.182218D+01
      3   0.542502D+01 -0.107954D+01  0.409088D+01 -0.427282D+01 -0.377814D+01
               236           237           238           239           240 
      1  -0.202075D+01  0.771852D+00 -0.664529D+00  0.647118D-01 -0.135661D+00
      2   0.285002D+00  0.597906D+01 -0.180873D+00 -0.962750D+00  0.174964D+01
      3  -0.609971D+01  0.110310D+01 -0.209599D+01  0.259318D+00  0.136366D+01
               241           242           243 
      1   0.584941D+00  0.131475D+01 -0.726860D+00
      2   0.611392D-01  0.957317D+00 -0.206884D+01
      3   0.131017D+01  0.141962D+01 -0.140371D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.799896D+01  0.436492D+01 -0.607341D+01  0.126253D+01  0.609248D+01
      2   0.258760D+01 -0.177712D+02 -0.563727D+01 -0.133119D+02 -0.161370D+02
      3  -0.105866D+02  0.134062D+02  0.117107D+02  0.120493D+02  0.100445D+02
      4   0.107459D+02 -0.430370D+01  0.214813D+02 -0.177222D+01  0.537669D+01
      5  -0.168756D+02  0.174210D+02 -0.133711D+02  0.163366D+02  0.424862D+01
      6   0.126009D+02 -0.119188D+02  0.116687D+02 -0.788877D+01 -0.392852D+01
                 6             7             8             9            10 
      1   0.194206D+02 -0.638434D+01  0.200338D+02 -0.219915D+01 -0.348332D+01
      2  -0.126067D+02 -0.697306D+01 -0.159607D+02  0.702900D+01  0.746011D+01
      3  -0.681389D+01  0.133574D+02 -0.407308D+01 -0.482985D+01 -0.397679D+01
      4  -0.565343D+01  0.222642D+02 -0.801945D+01  0.375498D+01 -0.143014D+02
      5   0.653818D+01 -0.127568D+02  0.869525D+01 -0.704949D+01  0.963728D+01
      6   0.452256D+01  0.100159D+02  0.365752D+01  0.604066D+00 -0.113689D+02
                11            12            13            14            15 
      1  -0.164519D+01  0.710184D+01 -0.441843D+01 -0.952639D+01 -0.186393D+02
      2   0.351945D+01  0.482543D+00  0.288730D+01  0.116935D+02  0.637810D+01
      3  -0.187426D+01 -0.758438D+01  0.153113D+01 -0.216709D+01  0.122612D+02
      4  -0.231596D+00 -0.191292D+02  0.299233D+01 -0.249247D+02 -0.517886D+01
      5  -0.155123D+02 -0.315161D+01 -0.167038D+02 -0.147939D+02  0.179545D+01
      6   0.751425D+01 -0.372733D+01 -0.187872D+01 -0.223878D+01 -0.652175D+01
                16            17            18            19            20 
      1   0.561928D+01 -0.181752D+02 -0.318584D+01  0.416601D+02  0.970308D+01
      2   0.649388D+01  0.910821D+01 -0.277807D+01 -0.397201D+02 -0.132822D+02
      3  -0.121132D+02  0.906697D+01  0.596391D+01 -0.193996D+01  0.357914D+01
      4  -0.285914D+02 -0.164343D+01 -0.382584D+00  0.857621D+01 -0.946464D+01
      5  -0.571815D+01  0.987451D+00  0.168854D+01  0.168166D+02  0.496606D+01
      6  -0.434878D+01 -0.392372D+01  0.130846D+01  0.105347D+02 -0.181396D+00
                21            22            23            24            25 
      1   0.359194D+01  0.179825D+02  0.677478D+01  0.694278D+01  0.574998D+00
      2  -0.348793D+01 -0.176796D+02 -0.121422D+02  0.246770D+01 -0.515699D+01
      3  -0.104016D+00 -0.302878D+00  0.536739D+01 -0.941048D+01  0.458199D+01
      4   0.565532D+01 -0.303538D+02 -0.574279D+01 -0.356967D+01  0.136264D+02
      5   0.476466D+01  0.497456D+01  0.517858D+01  0.332380D+01  0.346391D+01
      6   0.293156D+01  0.768852D+01  0.641138D+01  0.104605D+01  0.304135D+01
                26            27            28            29            30 
      1   0.837154D+01  0.138789D+02 -0.125509D+03 -0.124645D+02 -0.620890D+01
      2  -0.115164D+01  0.585113D+01  0.851883D+02  0.799290D+01  0.624392D+01
      3  -0.721990D+01 -0.197301D+02  0.403208D+02  0.447165D+01 -0.350205D-01
      4  -0.445510D+01  0.832456D+01 -0.149828D+02 -0.896626D+01 -0.588913D+00
      5   0.479975D+01  0.526460D+01 -0.374896D+02 -0.280318D+01 -0.123970D+02
      6  -0.518773D+00 -0.216204D+01 -0.179472D+02 -0.490524D+01 -0.595028D+00
                31            32            33            34            35 
      1  -0.361407D+02 -0.265913D+02  0.330868D+01 -0.320922D+02  0.248344D+00
      2   0.263551D+02  0.233793D+02 -0.245711D+01  0.189933D+02 -0.234973D+01
      3   0.978560D+01  0.321197D+01 -0.851570D+00  0.130989D+02  0.210139D+01
      4  -0.104030D+02 -0.106810D+02  0.150714D+01 -0.716552D+01  0.201360D+01
      5  -0.957548D+01 -0.519629D+01  0.126728D+00 -0.121353D+02  0.162167D+01
      6  -0.571749D+01 -0.874299D+01  0.391241D+01 -0.213807D+01  0.139186D+01
                36            37            38            39            40 
      1  -0.116876D+02  0.180213D+03  0.290721D+02  0.191858D+02  0.322369D+02
      2   0.251129D+01 -0.110495D+03 -0.178528D+02 -0.130354D+02 -0.162315D+02
      3   0.917630D+01 -0.697177D+02 -0.112193D+02 -0.615047D+01 -0.160054D+02
      4   0.527310D+00  0.333534D+02  0.167277D+02  0.800525D+00  0.326287D+02
      5   0.149729D+01  0.572040D+02  0.515950D+01  0.134264D+02  0.378216D+01
      6  -0.518404D+01  0.198136D+02  0.513241D+01  0.644170D+00  0.105029D+02
                41            42            43            44            45 
      1   0.668510D+01  0.850658D+01  0.991223D+01  0.790379D+01  0.129258D+02
      2   0.998820D+00  0.247696D+01 -0.123008D+02 -0.260518D+01 -0.243205D+01
      3  -0.768392D+01 -0.109835D+02  0.238859D+01 -0.529861D+01 -0.104938D+02
      4   0.790312D+01  0.330441D+01 -0.747581D+01 -0.346736D+01 -0.889733D+01
      5   0.354804D+01 -0.113017D+02  0.161019D+02 -0.781395D+01 -0.106531D+02
      6   0.146751D+01  0.431411D+01  0.125049D+00  0.947553D+00 -0.884489D+01
                46            47            48            49            50 
      1  -0.172879D+03 -0.312442D+02 -0.345743D+02 -0.532317D+02 -0.172813D+02
      2   0.957549D+02  0.140432D+02  0.190669D+02  0.278287D+02  0.117601D+02
      3   0.771245D+02  0.172010D+02  0.155073D+02  0.254030D+02  0.552120D+01
      4  -0.527007D+02 -0.271875D+02 -0.107916D+02 -0.113716D+02 -0.107629D+02
      5  -0.720884D+02 -0.147617D+02 -0.291127D+02 -0.259431D+02 -0.370268D+01
      6  -0.190442D+02 -0.343966D+01 -0.535865D+01 -0.261079D+00 -0.605119D+01
                51            52            53            54            55 
      1  -0.108715D+02 -0.446681D+02 -0.116004D+02 -0.173299D+02  0.186144D+03
      2   0.862917D+01  0.166644D+02  0.547400D+00  0.135008D+02 -0.979058D+02
      3   0.224236D+01  0.280038D+02  0.110530D+02  0.382915D+01 -0.882386D+02
      4  -0.198947D+01 -0.204262D+02 -0.131873D+01  0.297408D+01  0.465649D+02
      5   0.131441D+01 -0.229066D+02  0.370960D+01  0.114848D+02  0.687629D+02
      6   0.184741D+01  0.272165D+01 -0.389903D+01 -0.395505D+01  0.106430D+02
                56            57            58            59            60 
      1   0.310669D+02  0.369783D+02  0.584050D+02  0.285629D+02  0.571474D+01
      2  -0.117092D+02 -0.237629D+02 -0.258021D+02 -0.633149D+01 -0.133156D+01
      3  -0.193576D+02 -0.132154D+02 -0.326029D+02 -0.222314D+02 -0.438318D+01
      4   0.348726D+02  0.104128D+02  0.540788D+02  0.346359D+02  0.171352D+02
      5   0.125382D+02  0.407662D+02  0.202426D+02  0.188560D+02  0.108648D+02
      6   0.639797D+01  0.450202D+01  0.107154D+02  0.858453D+01  0.978244D+01
                61            62            63            64            65 
      1   0.881284D+02  0.119972D+02  0.277769D+02 -0.268325D+02  0.145685D+02
      2  -0.535666D+02 -0.502006D+01 -0.250708D+02  0.834491D+01 -0.463417D+01
      3  -0.345618D+02 -0.697713D+01 -0.270609D+01  0.184875D+02 -0.993431D+01
      4   0.228947D+02  0.150459D+02  0.120867D+02  0.157342D+02 -0.682851D+00
      5   0.653899D+02  0.142084D+02  0.422676D+02 -0.184699D+02  0.234011D+02
      6   0.105519D+02  0.102072D+02  0.538196D+01  0.102216D+02 -0.106344D+02
                66            67            68            69            70 
      1  -0.144700D+02  0.894412D+01  0.100610D+02  0.318392D+02 -0.233802D+02
      2  -0.986253D+00  0.113987D+01 -0.618894D+01 -0.243941D+02  0.113091D+01
      3   0.154563D+02 -0.100840D+02 -0.387209D+01 -0.744506D+01  0.222493D+02
      4   0.280182D+02 -0.517059D+01  0.947897D+01  0.102776D+02  0.339168D+02
      5  -0.309596D+00  0.238921D+02  0.151361D+02 -0.121921D+02 -0.312592D+01
      6  -0.463742D+01 -0.680037D+01 -0.113992D+02 -0.615996D+01 -0.326517D+01
                71            72            73            74            75 
      1   0.333903D+02 -0.478762D+01 -0.438791D+02 -0.161752D+02 -0.123749D+02
      2  -0.249586D+02  0.549839D+01  0.180391D+02  0.753470D+01 -0.258543D+01
      3  -0.843168D+01 -0.710766D+00  0.258400D+02  0.864048D+01  0.149603D+02
      4   0.744092D+01 -0.492754D+01 -0.217900D+02 -0.229291D+00 -0.325422D+01
      5  -0.899173D+01  0.924772D+01 -0.144800D+02 -0.383053D+01  0.949964D+01
      6  -0.658804D+01  0.362565D+00 -0.282943D+01 -0.233400D+01  0.812200D+01
                76            77            78            79            80 
      1  -0.146337D+02  0.728636D+01 -0.335327D+01 -0.382638D+01 -0.130915D+01
      2   0.110928D+02 -0.554824D+00  0.106416D+02 -0.511339D+01  0.725356D+01
      3   0.354088D+01 -0.673154D+01 -0.728833D+01  0.893977D+01 -0.594442D+01
      4   0.894654D+01  0.277911D+02  0.102940D+02 -0.110665D-01  0.329024D+01
      5  -0.530854D+01  0.171234D+02 -0.819788D+01  0.123355D+02 -0.777279D+01
      6   0.355134D+01  0.101003D+02 -0.979150D+00  0.660894D+01 -0.346046D+01
                81            82            83            84            85 
      1   0.218266D+02 -0.888908D+01 -0.114453D+02 -0.842120D+01 -0.139849D+02
      2  -0.482918D+01  0.145140D+02  0.274140D+02  0.101318D+02  0.255185D+02
      3  -0.169974D+02 -0.562490D+01 -0.159687D+02 -0.171057D+01 -0.115336D+02
      4  -0.364914D+01  0.642466D+01  0.941557D+01  0.896715D+01  0.197642D+02
      5  -0.691119D+01  0.564550D+00  0.879886D+01 -0.163510D+02  0.667196D+01
      6  -0.930606D+01  0.416353D+00  0.845946D+01 -0.147414D+02  0.171058D+01
                86            87            88            89            90 
      1   0.107327D+02  0.650701D+01 -0.233033D+02  0.740991D+01 -0.115516D+02
      2  -0.109213D+02 -0.571638D+01  0.237117D+02 -0.524418D+01  0.843010D+01
      3   0.188631D+00 -0.790623D+00 -0.408448D+00 -0.216572D+01  0.312145D+01
      4   0.118981D+02  0.536302D+01  0.155427D+02  0.116246D+02 -0.983890D+01
      5  -0.270853D+01 -0.452872D+00 -0.235188D+02 -0.595438D+01  0.554553D+01
      6  -0.482482D+01 -0.150053D+01 -0.185517D+02 -0.317912D+01  0.576950D+01
                91            92            93            94            95 
      1  -0.560710D+02 -0.344380D+01  0.320721D+02 -0.111782D+02  0.229359D+02
      2   0.343278D+02 -0.342251D+01 -0.943208D+01  0.364618D+01 -0.180690D+02
      3   0.217432D+02  0.686631D+01 -0.226400D+02  0.753206D+01 -0.486694D+01
      4  -0.223582D+01  0.145778D+02  0.762490D+00  0.988520D+01  0.229942D+02
      5   0.294637D+02  0.249038D+01  0.970217D+01  0.584661D+01  0.408367D+01
      6   0.198380D+01 -0.675965D+01  0.127405D+01 -0.436484D+01 -0.101347D+02
                96            97            98            99           100 
      1  -0.259478D+01  0.179305D+02 -0.450140D+01  0.152059D+02  0.791536D+02
      2  -0.988434D+01 -0.321621D+01 -0.338069D+01 -0.826708D+01 -0.381400D+02
      3   0.124791D+02 -0.147143D+02  0.788209D+01 -0.693877D+01 -0.410136D+02
      4   0.670212D+01  0.273509D+01  0.190097D+01 -0.122606D+02  0.346639D+02
      5  -0.116761D+02  0.141814D+02 -0.106155D+02 -0.103871D+02  0.243331D+02
      6  -0.370600D+01 -0.835393D+00  0.163126D+01  0.106054D+02  0.748261D+01
               101           102           103           104           105 
      1   0.146902D+02  0.128482D+02  0.710647D+01  0.752608D+01  0.107833D+01
      2  -0.368889D+01 -0.783304D+01 -0.335993D+00  0.158100D-01 -0.112119D+01
      3  -0.110013D+02 -0.501514D+01 -0.677048D+01 -0.754189D+01  0.428621D-01
      4   0.200565D+02  0.759495D+01  0.156945D+02  0.744036D+01  0.249536D+01
      5   0.638785D+01  0.143330D+02  0.327748D+01  0.196588D+01  0.243976D+01
      6   0.444896D+01  0.427332D+01  0.311342D+01  0.643332D+00  0.279357D+01
               106           107           108           109           110 
      1   0.369172D+01  0.904650D+00  0.493962D+01  0.133979D+00  0.566322D+01
      2  -0.307948D+01 -0.219915D+01 -0.449641D+01 -0.200821D+01 -0.332419D+01
      3  -0.612240D+00  0.129450D+01 -0.443201D+00  0.187423D+01 -0.233903D+01
      4   0.257127D+01  0.592852D-03  0.505668D+01  0.196593D+01 -0.181372D+01
      5   0.111674D+02  0.408262D+01  0.649562D+01  0.261459D+01 -0.361162D-01
      6   0.307356D+01  0.255802D+01  0.328272D+01  0.348528D+01 -0.336612D+01
               111           112           113           114           115 
      1   0.103581D+02  0.266549D+01 -0.727417D+01 -0.451489D+01  0.769963D+01
      2   0.117343D+00 -0.191303D+01  0.318071D+01  0.175386D+01 -0.339884D+01
      3  -0.104754D+02 -0.752464D+00  0.409346D+01  0.276102D+01 -0.430079D+01
      4   0.110521D+01  0.148727D+01  0.160980D+01  0.382469D+01  0.367150D+01
      5  -0.379643D+01  0.157386D+01  0.265536D+01  0.539301D+01  0.473828D+01
      6  -0.604177D+01 -0.759854D+00  0.568750D+01  0.100487D+02  0.430664D+00
               116           117           118           119           120 
      1  -0.727543D+01 -0.231011D+02  0.184747D+00 -0.346966D+00 -0.204926D+01
      2   0.144804D+01 -0.859910D+01 -0.375416D+01 -0.264161D-01 -0.134664D-01
      3   0.582739D+01  0.317002D+02  0.356941D+01  0.373382D+00  0.206273D+01
      4   0.815538D+01  0.754149D+01 -0.137739D+01  0.256475D+01  0.271033D+00
      5   0.881218D+01  0.282212D+02 -0.665267D+00  0.125234D+01  0.597590D+01
      6   0.113173D+02  0.216074D+02  0.127602D+01  0.198564D+00 -0.133859D-01
               121           122           123           124           125 
      1   0.797573D+00 -0.618548D+01 -0.522487D+01 -0.119978D+01 -0.274252D+01
      2  -0.495489D+00  0.173795D+01 -0.219569D+01  0.141406D+01 -0.239810D+01
      3  -0.302084D+00  0.444753D+01  0.742056D+01 -0.214278D+00  0.514062D+01
      4   0.228135D+01 -0.236342D+01 -0.221473D+01 -0.188706D-01 -0.289052D+01
      5   0.207538D+01 -0.236720D+01 -0.310762D+01  0.549834D+01 -0.246187D+01
      6  -0.277738D+00  0.224923D+01  0.646463D+01 -0.687849D+00  0.571844D+01
               126           127           128           129           130 
      1  -0.234758D+02 -0.749734D+01  0.185948D+02  0.741201D+00  0.106465D+02
      2  -0.122218D+02  0.975049D+01 -0.266105D+02 -0.147764D+01 -0.136585D+02
      3   0.356977D+02 -0.225315D+01  0.801579D+01  0.736439D+00  0.301203D+01
      4  -0.412359D+01 -0.520452D+01  0.215775D+01 -0.593736D+00  0.592383D+01
      5  -0.118308D+02  0.519953D+00 -0.830364D+00  0.152896D+01 -0.787689D+00
      6   0.219800D+01  0.314800D+00  0.135781D+00 -0.216129D+01  0.183387D+00
               131           132           133           134           135 
      1  -0.342859D+02 -0.515084D+00  0.363962D+01 -0.608237D+01 -0.403796D+01
      2   0.529819D+02  0.171074D+01 -0.340928D+01  0.941284D+01  0.509863D+01
      3  -0.186960D+02 -0.119566D+01 -0.230340D+00 -0.333046D+01 -0.106068D+01
      4   0.807618D+01 -0.477687D+00  0.333712D+00  0.124100D+01  0.203384D+01
      5   0.186301D+00  0.239907D+01  0.335429D+01  0.258494D+01  0.288171D-01
      6  -0.709705D+00  0.728054D+01  0.670326D+00  0.813026D+01  0.170589D+01
               136           137           138           139           140 
      1   0.110246D+02  0.115396D+01 -0.208118D+01  0.309469D+01 -0.512093D+01
      2  -0.491275D+01  0.184220D+01  0.779035D+00 -0.718908D+00  0.883602D+01
      3  -0.611188D+01 -0.299616D+01  0.130214D+01 -0.237578D+01 -0.371509D+01
      4   0.165285D+02  0.133452D+02 -0.111242D+02  0.965926D+01  0.108156D+02
      5  -0.165400D+02 -0.952481D+01  0.171136D+02 -0.551244D+01 -0.854111D+01
      6  -0.101298D+02 -0.880655D+01  0.117338D+02 -0.628352D+01 -0.974573D+01
               141           142           143           144           145 
      1   0.251629D+01 -0.979861D-01  0.611462D+01 -0.560215D+01  0.147744D+02
      2  -0.399998D+01 -0.793992D+00 -0.713388D+01 -0.253038D+01 -0.101536D+02
      3   0.148369D+01  0.891978D+00  0.101926D+01  0.813253D+01 -0.462077D+01
      4  -0.879223D+01 -0.165118D+02 -0.151701D+02  0.149121D+02 -0.239205D+02
      5   0.751719D+01  0.203076D+02  0.136170D+02 -0.247418D+02  0.259827D+02
      6   0.933801D+01  0.149438D+02  0.160390D+02 -0.222563D+02 -0.129631D+02
               146           147           148           149           150 
      1  -0.860373D+00  0.183079D+01 -0.101730D+01 -0.299551D+01  0.151736D+01
      2  -0.139866D+01 -0.594356D+01 -0.589640D+00  0.662918D+01 -0.100892D+01
      3   0.225903D+01  0.411277D+01  0.160694D+01 -0.363367D+01 -0.508445D+00
      4   0.182821D+02 -0.160137D+02  0.129206D+02 -0.133060D+02  0.980091D+01
      5  -0.136555D+02  0.231938D+02 -0.890031D+01  0.873246D+01 -0.829147D+01
      6   0.126589D+02 -0.141580D+02  0.869217D+01 -0.101708D+02  0.977161D+01
               151           152           153           154           155 
      1   0.388636D+01  0.175570D+01 -0.300764D+01 -0.620003D+01 -0.107557D+02
      2  -0.599418D+01  0.140120D+00 -0.758729D+01  0.758668D+01  0.165463D+02
      3   0.210782D+01 -0.189582D+01  0.105949D+02 -0.138665D+01 -0.579058D+01
      4  -0.136070D+02  0.103078D+02 -0.129806D+02  0.210469D+01  0.279914D+01
      5   0.195163D+02 -0.111087D+02  0.216660D+02 -0.114518D+01 -0.436287D+01
      6  -0.109057D+02  0.110284D+02 -0.155550D+02 -0.139904D+01 -0.166003D+01
               156           157           158           159           160 
      1   0.822524D+00 -0.664779D+01 -0.242101D+02 -0.148028D+01 -0.215858D+01
      2   0.230911D+01  0.100767D+02  0.401719D+02  0.549623D+01  0.361054D+01
      3  -0.313163D+01 -0.342895D+01 -0.159618D+02 -0.401595D+01 -0.145197D+01
      4  -0.116180D+01  0.475063D+01 -0.876935D+01  0.733024D+00  0.322394D+00
      5   0.825834D+00 -0.443717D+01 -0.480866D+01 -0.373160D+01  0.630523D+00
      6   0.189079D+01 -0.325021D+00 -0.578023D+01  0.606597D+01  0.319695D+00
               161           162           163           164           165 
      1  -0.927179D+01 -0.297976D+01 -0.643381D+01 -0.244766D+01  0.111081D+02
      2   0.149112D+02  0.444186D+01 -0.483337D+01  0.581267D+01  0.426078D+01
      3  -0.563944D+01 -0.146209D+01  0.112672D+02 -0.336501D+01 -0.153689D+02
      4  -0.349960D+01 -0.850187D+00  0.678138D+01 -0.142102D+01 -0.530916D+01
      5  -0.327583D+01 -0.223069D+01 -0.434384D+01 -0.614333D+00  0.277483D+01
      6   0.337476D+01  0.405948D+01 -0.170736D+01 -0.269781D+01  0.407859D+01
               166           167           168           169           170 
      1   0.131052D+01 -0.236022D+01 -0.685416D+01  0.884356D+01 -0.217264D+01
      2   0.393675D+01 -0.365664D+00 -0.202166D+01  0.389777D+01 -0.182674D+01
      3  -0.524727D+01  0.272589D+01  0.887582D+01 -0.127413D+02  0.399938D+01
      4  -0.288787D+01  0.304137D+01  0.150257D+01 -0.654817D+01  0.212953D+01
      5   0.393237D+00 -0.106523D+01  0.197764D+01  0.527771D+01 -0.129195D+01
      6  -0.225381D+01  0.336846D+01  0.652261D+00  0.174615D+01  0.368421D+01
               171           172           173           174           175 
      1  -0.146296D+02 -0.360210D+01 -0.120606D+02 -0.513773D+01 -0.924020D+01
      2  -0.873069D+01  0.330680D+01  0.994538D+01  0.270103D+01  0.389068D+01
      3   0.233603D+02  0.295306D+00  0.211519D+01  0.243670D+01  0.534951D+01
      4   0.449193D+01 -0.638341D+00 -0.426400D+01 -0.431106D+01  0.779095D+01
      5   0.190359D+01  0.230322D+01 -0.359867D+01 -0.293275D+01  0.235458D+01
      6  -0.590403D+01  0.151885D+01  0.662899D+01  0.537623D+01 -0.484923D+00
               176           177           178           179           180 
      1  -0.217098D+02 -0.131614D+02 -0.251451D+01 -0.139691D+02 -0.101555D+02
      2   0.256129D+02  0.948822D+01  0.203510D+01  0.100282D+02  0.330686D+01
      3  -0.390310D+01  0.367318D+01  0.479409D+00  0.394094D+01  0.684859D+01
      4  -0.280522D+02 -0.132257D+02  0.306571D+00 -0.130734D+02 -0.907904D+01
      5  -0.133079D+02 -0.105593D+02  0.432370D+01 -0.914954D+01 -0.129230D+02
      6   0.201435D+02  0.146983D+02  0.389710D-01  0.142838D+02  0.127643D+02
               181           182           183           184           185 
      1   0.678858D+02 -0.178253D+02  0.132305D+02 -0.161352D+02  0.855192D+01
      2  -0.274077D+02  0.305354D+01 -0.377333D+01  0.171151D+01  0.122644D+01
      3  -0.404781D+02  0.147717D+02 -0.945715D+01  0.144237D+02 -0.977837D+01
      4  -0.355756D+02  0.201426D+02 -0.845746D+01  0.213879D+02 -0.164508D+02
      5   0.815460D+01 -0.405869D+01  0.124019D+02 -0.389150D+01  0.129468D+01
      6  -0.341558D+01  0.138602D+01 -0.367698D+01  0.127715D+01  0.172285D+00
               186           187           188           189           190 
      1  -0.537240D+01  0.303200D+02 -0.970722D+01  0.107681D+02  0.181851D+02
      2   0.158942D+01 -0.105937D+02  0.193704D+01 -0.493352D+01 -0.129280D+02
      3   0.378298D+01 -0.197263D+02  0.777019D+01 -0.583457D+01 -0.525710D+01
      4   0.385379D+01 -0.200527D+02  0.118173D+02 -0.683057D+01  0.243326D+01
      5  -0.303340D+01  0.125145D+02 -0.394674D+01  0.118455D+02 -0.135962D+02
      6   0.360533D+01 -0.415067D+01  0.342418D+01 -0.490618D+01 -0.132310D+01
               191           192           193           194           195 
      1   0.453359D+01 -0.878919D+01  0.138594D+02  0.297792D+01 -0.875508D+01
      2  -0.456123D+01  0.993094D+01 -0.110469D+02 -0.479971D+01  0.123092D+02
      3   0.276379D-01 -0.114175D+01 -0.281250D+01  0.182178D+01 -0.355412D+01
      4   0.556408D+01 -0.563497D+01  0.546296D+01  0.135184D+02 -0.905837D+01
      5  -0.798047D+01  0.148241D+02 -0.149417D+02 -0.110005D+02  0.179648D+02
      6  -0.294157D+00  0.176355D+00 -0.257147D+00 -0.379248D+01  0.293373D+01
               196           197           198           199           200 
      1  -0.112791D+02 -0.608497D+01  0.747445D+01  0.202845D+00 -0.160779D+01
      2   0.133908D+02  0.938451D+01 -0.180918D+02  0.116825D+01  0.140126D+01
      3  -0.211165D+01 -0.329954D+01  0.106174D+02 -0.137109D+01  0.206536D+00
      4  -0.547148D+01 -0.101738D+02  0.711715D+01 -0.106906D+01  0.129138D+01
      5   0.209697D+02  0.105375D+02 -0.311546D+02 -0.360583D+01  0.923129D+00
      6  -0.426226D+00  0.486265D+01  0.519292D+00  0.616910D+00  0.200254D-01
               201           202           203           204           205 
      1  -0.223691D+01 -0.200586D+01 -0.751230D+00 -0.458608D+01 -0.358408D+01
      2   0.176948D+01 -0.151916D+01  0.858098D+00  0.230767D+01  0.286570D+01
      3   0.467431D+00  0.352502D+01 -0.106867D+00  0.227841D+01  0.718378D+00
      4   0.177008D+01  0.881580D+00 -0.764597D+00 -0.216107D+01  0.227839D+01
      5   0.390534D+01  0.466978D+00 -0.580066D+00 -0.217410D+01  0.367527D+01
      6  -0.287225D+00 -0.683912D+00  0.340716D+01  0.327780D+01  0.752970D-01
               206           207           208           209           210 
      1  -0.519527D+01 -0.813179D+01 -0.540394D+00  0.136177D+01  0.328189D+01
      2   0.403416D+01  0.132021D+01 -0.180851D+01 -0.676329D+00 -0.888694D+00
      3   0.116110D+01  0.681158D+01  0.234890D+01 -0.685440D+00 -0.239320D+01
      4  -0.218237D+01 -0.400043D+01  0.156338D+01  0.177156D+01  0.175240D+01
      5  -0.328803D+01 -0.695591D+01  0.306124D+01  0.203793D+01  0.561207D+01
      6   0.438418D+01  0.658106D+01  0.209930D+01 -0.174557D+00  0.429902D+00
               211           212           213           214           215 
      1   0.224918D+01 -0.645805D+01 -0.794907D+01  0.328509D+01 -0.753960D+01
      2  -0.333459D+01  0.159382D+01 -0.553891D+00 -0.270546D+01  0.914911D+00
      3   0.108541D+01  0.486423D+01  0.850296D+01 -0.579629D+00  0.662469D+01
      4  -0.604836D+00  0.322510D+01  0.381857D+01  0.243704D+01  0.446994D+01
      5   0.333295D+01  0.462317D+01  0.861023D+01  0.472719D+01  0.662767D+01
      6  -0.761221D+00  0.531943D+01  0.653773D+01  0.159065D+01  0.795720D+01
               216           217           218           219           220 
      1  -0.234861D+02  0.272609D+01 -0.808914D+01 -0.576937D+01 -0.103722D+02
      2  -0.636607D+01  0.224811D+00  0.642468D+01  0.143178D+01  0.541014D+01
      3   0.298522D+02 -0.295090D+01  0.166446D+01  0.433759D+01  0.496210D+01
      4   0.549649D+01 -0.276305D+01 -0.325499D+01 -0.144659D+01  0.615102D+01
      5   0.217482D+02 -0.873580D+00  0.160704D+00 -0.398700D+01  0.725418D+01
      6   0.942096D+01  0.182584D+01  0.363920D+01  0.176897D+01 -0.141640D+01
               221           222           223           224           225 
      1  -0.204586D+02 -0.387305D+01 -0.432593D+01 -0.291838D+01 -0.658505D+01
      2   0.273506D+02  0.229811D+01  0.203308D+01  0.249120D+00  0.244512D+01
      3  -0.689199D+01  0.157494D+01  0.229284D+01  0.266926D+01  0.413993D+01
      4  -0.421567D+02 -0.105265D+02 -0.103049D+01 -0.299143D+01 -0.396566D+01
      5  -0.810732D+01 -0.112513D+02  0.663934D+00 -0.378547D+01 -0.348704D+01
      6   0.194142D+02  0.980618D+01 -0.980598D-01  0.660180D+01  0.258641D+01
               226           227           228           229           230 
      1  -0.542339D+01  0.628784D+01 -0.156258D+02  0.790518D+01 -0.112674D+02
      2  -0.567892D+00 -0.115369D+01 -0.339437D+00 -0.361389D+01  0.410115D+01
      3   0.599129D+01 -0.513415D+01  0.159652D+02 -0.429129D+01  0.716623D+01
      4   0.390748D+01 -0.540843D+01  0.131503D+01 -0.167667D+01  0.472174D+01
      5  -0.187324D+00 -0.254402D+00 -0.928912D+01 -0.307134D+01 -0.620981D+01
      6  -0.279567D+01  0.445109D+01 -0.252656D+01  0.205689D+01 -0.561468D+01
               231           232           233           234           235 
      1   0.879424D+01 -0.160729D+02  0.722458D+01 -0.220619D+02  0.815840D+02
      2   0.327807D+01  0.555162D+01  0.150987D+01 -0.725454D+01 -0.459339D+02
      3  -0.120723D+02  0.105213D+02 -0.873445D+01  0.293165D+02 -0.356501D+02
      4  -0.792877D+01  0.306734D+01 -0.809030D+01  0.708623D+01 -0.738130D+01
      5   0.122430D+02  0.206997D+01  0.562966D+01 -0.223133D+02 -0.433824D+02
      6   0.845707D+01 -0.189136D+01  0.672450D+01 -0.627059D+01  0.897283D-01
               236           237           238           239           240 
      1  -0.772395D+00 -0.217722D+02  0.560184D+01  0.605706D+01 -0.116462D+01
      2  -0.356630D+00  0.161882D+02 -0.336651D+01 -0.215386D+01  0.199456D+01
      3   0.112903D+01  0.558402D+01 -0.223533D+01 -0.390320D+01 -0.829944D+00
      4   0.120075D+02  0.205607D+01  0.100264D+02 -0.114489D+01 -0.416072D+01
      5   0.432888D+00  0.248582D+02 -0.340223D+01 -0.524320D+01  0.346140D+01
      6  -0.389923D+01 -0.945399D+00 -0.340177D+01  0.310968D+00  0.251915D+01
               241           242           243 
      1  -0.124275D+02  0.426969D+00  0.932776D+01
      2   0.107256D+02  0.585516D+00 -0.911664D+01
      3   0.170191D+01 -0.101249D+01 -0.211118D+00
      4   0.942487D+00 -0.246228D+01  0.382678D+00
      5   0.177277D+02  0.950181D+00 -0.125917D+02
      6  -0.124755D+01  0.199329D+01 -0.267220D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.146430D+01      0.372188D+01      0.124149D+02
   y          0.466288D+00      0.118519D+01      0.395335D+01
   z          0.648282D+00      0.164777D+01      0.549637D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.160415D+03      0.237711D+02      0.264489D+02
   yx         0.622842D+01      0.922956D+00      0.102693D+01
   yy         0.104663D+03      0.155094D+02      0.172565D+02
   zx         0.405451D+01      0.600816D+00      0.668498D+00
   zy         0.409679D+01      0.607081D+00      0.675469D+00
   zz         0.107452D+03      0.159228D+02      0.177165D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129210D+03      0.191469D+02      0.213038D+02
   aniso      0.615305D+02      0.911787D+01      0.101450D+02
   xx         0.168473D+03      0.249652D+02      0.277775D+02
   yx         0.740742D+01      0.109767D+01      0.122132D+01
   yy         0.108348D+03      0.160555D+02      0.178642D+02
   zx         0.567528D+01      0.840989D+00      0.935727D+00
   zy         0.414604D+01      0.614380D+00      0.683590D+00
   zz         0.110808D+03      0.164201D+02      0.182698D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.27836191         -3.61710130          2.61046671
     6          1.50951590         -1.44398806          3.17764798
     6          1.77072531          0.70961947          1.11459093
     6         -0.32890338          0.86031149         -0.73141950
     6         -0.06501574          0.70888235         -3.23649688
     6         -2.14640079          0.84296564         -5.08775533
     8         -1.69388729          0.66987955         -7.33592982
     6          4.11513983         -2.44159599          3.89381125
     6          0.56016011          0.58879065          5.07141817
     6          1.55925238          2.67737994          3.29639630
     6         -4.83217440          1.18934480         -4.15633898
     1          1.34309249          0.50964838          6.97579973
     1         -1.49629311          0.60526589          5.21509600
     1          3.57383253          0.67817144          0.11660387
     1          0.31849597          4.28234775          2.94631595
     1          3.40403005          3.39551635          3.85696480
     1         -0.42718505         -4.86371366          4.25049697
     1          0.39998526         -4.74254338          1.01799543
     1         -2.17620762         -2.95726272          2.15202005
     1          4.91709408         -3.56395206          2.35761727
     1          3.99411432         -3.64399252          5.56831993
     1          5.42972759         -0.90739559          4.31140581
     1         -2.20827758          1.11578711          0.05396006
     1          1.78910303          0.46224388         -4.07681973
     1         -5.01717245          2.93836448         -3.07718033
     1         -5.38487775         -0.36572568         -2.91735034
     1         -6.09195916          1.25054972         -5.77772562

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.166789D+01      0.423937D+01      0.141410D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.114975D+03      0.170376D+02      0.189569D+02
   yx        -0.395703D+01     -0.586371D+00     -0.652426D+00
   yy         0.102783D+03      0.152309D+02      0.169467D+02
   zx         0.169253D+02      0.250808D+01      0.279061D+01
   zy        -0.419275D+01     -0.621302D+00     -0.691292D+00
   zz         0.154771D+03      0.229347D+02      0.255183D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129210D+03      0.191469D+02      0.213038D+02
   aniso      0.615305D+02      0.911787D+01      0.101450D+02
   xx         0.117836D+03      0.174615D+02      0.194286D+02
   yx        -0.383842D+01     -0.568795D+00     -0.632870D+00
   yy         0.106321D+03      0.157551D+02      0.175299D+02
   zx         0.177253D+02      0.262662D+01      0.292251D+01
   zy        -0.441178D+01     -0.653758D+00     -0.727404D+00
   zz         0.163473D+03      0.242242D+02      0.269530D+02

 ----------------------------------------------------------------------
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 AS FAR AS THE LAWS OF MATHEMATICS REFER TO REALITY,
 THEY ARE NOT CERTAIN; AND AS FAR AS THEY ARE CERTAIN,
 THEY DO NOT REFER TO REALITY.

                                         -- ALBERT EINSTEIN
 Job cpu time:       0 days  7 hours  6 minutes 59.7 seconds.
 Elapsed time:       0 days  0 hours 53 minutes 24.7 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 12:05:08 2021.
